893	643	658	0:SP2_SP2_SP3	O	C[6a]	Si[6]	3:4:	3:3:2:	4:4:2:2:	C[6a]-3:Si[6]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-4:O-2:O-2:	O(C[6a]C[6a,6a]C[6a])(Si[6]C[6]2O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6])	Si[6](C[6]C[6]HH)2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(Si[6]C[6]2O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[6]){1|H<1>,3|C<3>}	Si[6](C[6]C[6]HH)2(OC[6a])2{1|C<4>,4|H<1>}	123.0472	6.729	6	123.0472	45.280	6	123.0472	45.280	6	123.0472	45.280	6	124.5954	41.295	8	124.5954	41.295	8
893	643	658	0:SP2_SP2_SP3	O	C[6a]	Si[6]	4:3:	3:3:2:	3:3:2:2:	Si[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:O[6]-2:O-2:	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6])	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6]){1|C<3>,1|H<1>,1|O<2>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<2>,3|H<1>,6|C<3>}	130.8430	0.000	1	129.2400	5.139	2	129.2400	5.139	2	129.2400	5.139	2	124.5954	41.295	8	124.5954	41.295	8
893	643	658	0:SP2_SP2_SP3	O	C[6a]	Si[6]	4:3:	3:3:2:	3:3:2:2:	Si[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:O[6]-2:O-2:	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6])	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	O(Si[6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6]){1|C<3>,1|H<1>,1|O<2>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	127.6370	0.000	1	129.2400	5.139	2	129.2400	5.139	2	129.2400	5.139	2	124.5954	41.295	8	124.5954	41.295	8
893	643	670	0:SP2_SP2_SP2	O	C[6a]	Ge	3:3:	3:3:2:	2:2:3:	C[6a]-3:Ge-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[6a]2)(GeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	Ge(OC[6a])2(NHH)	O(C[6a]C[6a]2)(GeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	Ge(OC[6a])2(NHH)	120.8165	2.146	2	120.8165	4.606	2	120.8165	4.606	2	120.8165	4.606	2	120.7285	3.614	4	120.7285	3.614	4
893	643	670	0:SP2_SP2_SP2	O	C[6a]	Ge	3:3:	3:3:2:	2:2:4:	C[6a]-3:Ge-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-4:	O(C[6a]C[6a]2)(GeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe)	Ge(OC[6a])2(NH3)	O(C[6a]C[6a]2)(GeNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OGe){1|H<1>,4|C<3>}	Ge(OC[6a])2(NH3)	120.6405	2.491	2	120.6405	6.206	2	120.6405	6.206	2	120.6405	6.206	2	120.7285	3.614	4	120.7285	3.614	4
893	643	679	0:SP2_SP2_SP3	O	C[6a]	B[5a]	4:3:	3:3:2:	2:2:3:2:	B[5a]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a])	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	O(B[5a]O[5a]2C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[5a]){1|C<3>,2|H<1>}	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1
893	643	722	0:SP2_SP2_SPD5	O	C[6a]	Si[4]	3:5:	3:3:2:	3:3:2:1:1:	C[6a]-3:Si[4]-5:	C[6a,6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:F-1:F-1:	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4])	Si[4](N[4]C[4]C)2(OC[6a])(F)2	O(C[6a]C[6a,6a]C[6a])(Si[4]N[4]2FF)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[4]){1|H<1>,3|C<3>}	Si[4](N[4]C[4]C)2(OC[6a])(F)2{1|C<3>}	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1	114.8880	0.000	1
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:O-2:	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<2>}	117.5720	1.773	2	117.5720	3.145	2	117.9248	3.066	4	117.8140	2.361	5	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:O-2:	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<3>}	119.9440	0.000	1	119.9440	0.000	1	117.9248	3.066	4	117.8140	2.361	5	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:O-2:	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(OC[5a])	C[5a](N[5a]N[5a])2(OC[6a])	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])2(OC[6a]){1|C<4>}	116.6110	0.000	1	116.6110	0.000	1	117.9248	3.066	4	117.8140	2.361	5	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:O[5a]-2:O-2:	O(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a])	O(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a]){1|C<3>}	117.3710	0.000	1	117.3710	0.000	1	117.3710	0.000	1	117.8140	2.361	5	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(OC[6a])	O(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(OC[6a]){4|C<3>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	119.0995	1.970	2	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a])	O(C[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(OC[6a]){1|C<4>,3|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	119.0995	1.970	2	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC[6a])	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC[6a]){1|C<3>,1|H<1>,1|S<2>}	118.0420	0.000	1	118.0420	0.000	1	118.0512	0.897	5	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<3>,1|H<1>}	118.9300	0.000	1	118.0535	1.195	4	118.0512	0.897	5	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|C<4>}	118.0765	1.402	2	118.0535	1.195	4	118.0512	0.897	5	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a])	O(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(OC[6a]){1|H<1>}	117.1310	0.000	1	118.0535	1.195	4	118.0512	0.897	5	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	118.1655	0.489	2	118.1655	0.239	2	118.0485	0.677	12	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	117.8903	1.061	3	118.0251	0.797	10	118.0485	0.677	12	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	118.1005	0.032	2	118.0251	0.797	10	118.0485	0.677	12	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	118.0758	1.101	5	118.0251	0.797	10	118.0485	0.677	12	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6]-3:C[5a]-3:O-2:	O(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a])	O(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(OC[6a]){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	118.3260	0.352	2	118.3260	0.124	2	118.3260	0.124	2	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	118.5190	1.713	4	118.5190	2.936	4	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.4740	0.000	1	118.4740	0.000	1	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	119.1650	0.000	1	119.1650	0.000	1	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	117.6555	0.803	2	117.6555	0.644	2	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.7550	0.000	1	118.7550	0.000	1	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	118.2190	0.078	2	118.2190	0.006	2	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	118.4835	1.126	4	118.4835	1.269	4	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	727	0:SP2_SP2_SP2	O	C[6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5a])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(OC[6a])	O(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(OC[6a]){1|C<3>,1|H<1>}	125.7297	0.142	4	125.7297	0.020	4	119.9512	10.249	19	119.0148	6.192	38	118.8851	5.613	45	118.8851	5.613	45
893	643	730	0:SP2_SP2_SP2	O	C[6a]	As	3:3:	3:2:2:	3:2:2:	C[6a]-3:As-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-2:O-2:	O(C[6a]C[6a]N[6a])(AsC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs)	As(C[6a]C[6a]2)(OC[6a])2	O(C[6a]C[6a]N[6a])(AsC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OAs){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OC[6a])2	112.9730	0.694	2	112.9730	0.482	2	112.9730	0.482	2	112.9730	0.482	2	119.0502	30.974	5	119.0502	30.974	5
893	643	730	0:SP2_SP2_SP2	O	C[6a]	As	3:3:	3:3:2:	2:2:2:	C[6a]-3:As-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(AsOO)	C[6a](C[6a]C[6a]C)2(OAs)	As(OC[6a])3	O(C[6a]C[6a]2)(AsOO)	C[6a](C[6a]C[6a]C)2(OAs){1|C<3>,2|H<1>}	As(OC[6a])3	123.1017	0.391	3	123.1017	0.153	3	123.1017	0.153	3	123.1017	0.153	3	119.0502	30.974	5	119.0502	30.974	5
893	643	746	0:SP2_SP2_SPD5	O	C[6a]	P[6,6]	5:3:	3:3:2:	3:2:2:2:2:	P[6,6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6,6]-3:O[6]-2:O[6]-2:O-2:O-2:	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6,6])	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2	O(P[6,6]N[6,6]O[6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6,6]){1|C<3>,2|H<1>}	P[6,6](N[6,6]C[6]2)(O[6]C[6,6a])2(OC[6a])2{4|C<3>,4|H<1>}	130.1900	0.049	2	130.1900	0.002	2	130.1900	0.002	2	130.1900	0.002	2	130.1900	0.002	2	130.1900	0.002	2
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	2:2:2:	4:3:2:	C[6a]-3:C[6]-3:	N[6a]-2:N[6a]-2:O-2:	C[6]-4:C[6]-3:O-2:	O(C[6a]N[6a]2)(C[6]C[6]2)	C[6a](N[6a]C[6a])2(OC[6])	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a])	O(C[6a]N[6a]2)(C[6]C[6]2)	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a]){1|O<1>,3|C<4>}	117.7820	0.990	6	117.7820	0.981	6	117.7820	0.981	6	117.7820	0.981	6	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Cu<5>,1|C<3>,1|H<1>}	118.4920	0.000	1	118.9696	1.888	5	118.7780	1.731	6	118.7780	1.731	6	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Mn<6>,1|C<3>,1|H<1>}	118.5830	0.991	2	118.9696	1.888	5	118.7780	1.731	6	118.7780	1.731	6	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6]){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Cu<4>,1|C<3>,1|H<1>}	119.5950	2.294	2	118.9696	1.888	5	118.7780	1.731	6	118.7780	1.731	6	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	117.8200	0.000	1	117.8200	0.000	1	118.7780	1.731	6	118.7780	1.731	6	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6]-2:O-2:	O(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a])	O(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	120.2155	1.754	2	120.2155	3.078	2	119.3646	2.323	5	119.0055	3.753	12	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6]-2:O-2:	O(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC[6a])	O(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC[6a]){1|Ir<6>,1|H<1>,3|C<3>}	118.7973	1.379	3	118.7973	1.901	3	119.3646	2.323	5	119.0055	3.753	12	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6])	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a]){1|Cu<5>,1|C<3>,1|O<2>}	120.4060	0.503	2	120.4060	0.253	2	118.2943	4.441	6	119.0055	3.753	12	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a]){1|Cu<5>,1|C<3>,1|O<2>}	115.9885	0.506	2	117.2385	2.857	4	118.2943	4.441	6	119.0055	3.753	12	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6])	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6]){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(OC[6a]){1|Cu<5>,1|C<3>,1|O<2>}	118.4885	1.438	2	117.2385	2.857	4	118.2943	4.441	6	119.0055	3.753	12	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:N[6]-2:O-2:	O(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](N[6]C[6]Cu)(N[6]C[6])(OC[6a])	O(C[6a]C[6a]2)(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6])(OC[6a]){1|C<3>,2|H<1>}	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	119.0055	3.753	12	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	118.6330	0.000	1	118.6330	0.000	1	120.2680	0.855	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	120.0635	0.493	2	120.4315	0.624	10	120.2680	0.855	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	120.7340	1.242	4	120.4315	0.624	10	120.2680	0.855	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	120.3370	0.209	2	120.4315	0.624	10	120.2680	0.855	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	120.2890	0.017	2	120.4315	0.624	10	120.2680	0.855	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6]-3:O-2:	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a])	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>,2|N<3>}	119.5610	4.132	2	119.5610	17.076	2	119.5610	17.076	2	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a])	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	121.0690	0.000	1	121.0690	0.000	1	122.4875	4.024	2	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a])	O(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	123.9060	0.000	1	123.9060	0.000	1	122.4875	4.024	2	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a])	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a]){1|H<1>,2|C<4>,3|C<3>}	117.1590	0.000	1	117.1590	0.000	1	118.0893	2.198	3	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a])	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	119.7990	0.000	1	119.7990	0.000	1	118.0893	2.198	3	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a])	O(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a]){1|H<1>,1|N<3>,2|C<3>}	117.3100	0.000	1	117.3100	0.000	1	118.0893	2.198	3	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6,6]-3:C[6]-3:O-2:	O(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	O(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	114.9050	0.000	1	114.9050	0.000	1	114.9050	0.000	1	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	122.5010	0.440	2	122.5010	0.193	2	122.1541	8.051	9	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>}	119.3500	0.000	1	119.3500	0.000	1	122.1541	8.051	9	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC[6a]){1|C<3>,2|H<1>}	121.1110	0.000	1	121.1110	0.000	1	122.1541	8.051	9	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6]){1|C<3>,1|H<1>,1|O<2>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a]){1|C<3>,2|H<1>}	121.7030	0.279	2	121.7030	0.078	2	122.1541	8.051	9	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>}	126.1030	2.930	2	126.1030	8.586	2	122.1541	8.051	9	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(OC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC[6a])	O(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC[6a]){1|C<3>,2|H<1>}	118.3120	0.000	1	118.3120	0.000	1	122.1541	8.051	9	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6])	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6]){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a]){1|O<1>,2|C<3>}	120.3225	0.631	2	120.3225	0.399	2	120.3225	0.399	2	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6])	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a]){1|H<1>,3|C<3>}	111.5850	0.000	1	111.5850	0.000	1	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6])	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	120.9630	0.000	1	120.9630	0.000	1	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6])	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	118.5480	0.000	1	118.5480	0.000	1	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	120.7510	0.000	1	119.6760	3.872	3	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	119.1385	2.452	2	119.6760	3.872	3	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[6]C[6]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	118.1173	0.792	3	118.1173	0.627	3	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6])	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(OC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	118.6240	0.000	1	118.6240	0.000	1	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	762	0:SP2_SP2_SP2	O	C[6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	O(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	116.4980	0.000	1	116.4980	0.000	1	118.1453	7.011	11	119.8987	7.470	41	119.4350	5.995	65	119.4350	5.995	65
893	643	770	0:SP2_SP2_SP2	O	C[6a]	B	3:3:	3:3:2:	2:2:2:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB)	B(OC[6a])3	O(C[6a]C[6a]2)(BOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB){2|H<1>,3|C<3>}	B(OC[6a])3	122.1993	2.132	3	122.1993	4.546	3	122.1993	4.546	3	122.1993	4.546	3	125.4027	43.144	23	125.4027	43.144	23
893	643	770	0:SP2_SP2_SP2	O	C[6a]	B	3:3:	3:3:2:	2:2:3:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:B-3:	O(C[6a]C[6a]2)(BBO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	B(OC[6a])2(BOO)	O(C[6a]C[6a]2)(BBO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	B(OC[6a])2(BOO)	116.8038	0.564	4	116.8038	0.318	4	116.8038	0.318	4	116.8038	0.318	4	125.4027	43.144	23	125.4027	43.144	23
893	643	770	0:SP2_SP2_SP2	O	C[6a]	B	3:3:	3:3:2:	3:2:2:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(BC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	B(C[6a]C[6a]2)(OC[6a])2	O(C[6a]C[6a]2)(BC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	B(C[6a]C[6a]2)(OC[6a])2	128.5604	6.002	12	128.5604	36.029	12	128.5604	36.029	12	128.5604	36.029	12	125.4027	43.144	23	125.4027	43.144	23
893	643	770	0:SP2_SP2_SP2	O	C[6a]	B	3:3:	3:3:2:	3:3:2:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(C[6a]C[6a]2)(BC[6a]C)	C[6a](C[6a]C[6a]H)2(OB)	B(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(BC[6a]C)	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	127.1810	0.000	1	127.1810	0.000	1	127.1810	0.000	1	127.4500	0.145	2	125.4027	43.144	23	125.4027	43.144	23
893	643	770	0:SP2_SP2_SP2	O	C[6a]	B	3:3:	3:3:2:	3:3:2:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	B(C[6a]C[6a]2)2(OC[6a])	O(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(OC[6a])	127.7190	0.000	1	127.7190	0.000	1	127.7190	0.000	1	127.4500	0.145	2	125.4027	43.144	23	125.4027	43.144	23
893	643	770	0:SP2_SP2_SP2	O	C[6a]	B	3:3:	3:3:2:	4:2:2:	C[6a]-3:B-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-2:	O(C[6a]C[6a]2)(BC[5]O)	C[6a](C[6a]C[6a]C)2(OB)	B(C[5]C[5]2Fe)(OC[6a])2	O(C[6a]C[6a]2)(BC[5]O)	C[6a](C[6a]C[6a]C)2(OB){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(OC[6a])2	126.4125	9.275	2	126.4125	86.028	2	126.4125	86.028	2	126.4125	86.028	2	125.4027	43.144	23	125.4027	43.144	23
893	643	786	0:SP2_SP2_SP3	O	C[6a]	B[5]	4:3:	3:3:2:	3:3:2:2:	B[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-2:O-2:	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	116.4802	2.769	4	116.4802	7.668	4	116.6705	9.820	6	116.6705	9.820	6	116.2263	11.826	10	116.2263	11.826	10
893	643	786	0:SP2_SP2_SP3	O	C[6a]	B[5]	4:3:	3:3:2:	3:3:2:2:	B[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-3:O-2:O-2:	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2	O(B[5]C[5,6a]N[5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2{1|H<1>,3|C<3>}	117.0510	5.066	2	117.0510	25.661	2	116.6705	9.820	6	116.6705	9.820	6	116.2263	11.826	10	116.2263	11.826	10
893	643	786	0:SP2_SP2_SP3	O	C[6a]	B[5]	4:3:	3:3:2:	3:4:2:2:	B[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5])	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	O(B[5]C[5,6a]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[5]){1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.5600	4.257	4	115.5600	18.125	4	115.5600	18.125	4	115.5600	18.125	4	116.2263	11.826	10	116.2263	11.826	10
893	643	794	0:SP2_SP2_SPD5	O	C[6a]	C[4,4,5]	5:3:	3:3:2:	5:4:2:1:1:	C[4,4,5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[4x3,4,4,5]-5:C[3,4x4,5]-4:O-2:H-1:H-1:	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4,5])	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2	O(C[4,4,5]C[4x3,4,4,5]C[3,4x4,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4,5]){1|C<3>,1|H<1>,1|P<4>}	C[4,4,5](C[4x3,4,4,5]C[4x3,4,4,5]C[6x3,4,4]O[4x3,4,4]H[3,3])(C[3,4x4,5]C[6x3,4,4]H[3,4,4,5]O[4x3,4,4])(OC[6a])(H)2{2|H<1>,2|H<2>}	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	118.7825	0.362	2
893	643	794	0:SP2_SP2_SPD5	O	C[6a]	C[4,4]	5:3:	3:3:2:	7:3:2:1:1:	C[4,4]-5:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[3x3,3x4]-7:C[3x4]-3:O-2:H-1:H-1:	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4])	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2	O(C[4,4]C[3x3,3x4]C[3x4]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[4,4]){1|C<3>,2|H<1>}	C[4,4](C[3x3,3x4]C[3,3,4,4]C[4x3]H[4,4]H[3]2H)(C[3x4]C[3,3,4,4]H[4,4])(OC[6a])(H)2{1|H<1>,1|H<2>}	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	118.7825	0.362	2
893	643	811	0:SP2_SP2_SP3	O	C[6a]	B[6a]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:B[6a]-4:	C[6a,6a]-3:C[6a]-3:O-2:	O[6a]-2:O[6a]-2:O-2:O-2:	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OB[6a])	B[6a](O[6a]B[6a])2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(B[6a]O[6a]2O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OB[6a]){7|C<3>}	B[6a](O[6a]B[6a])2(OC[6a])2{3|O<2>}	115.3715	0.866	2	115.3715	0.750	2	115.3715	0.750	2	115.3715	0.750	2	115.3715	0.750	2	115.3715	0.750	2
893	643	813	0:SP2_SP2_SP2	O	C[6a]	N[5a]	3:3:	2:2:2:	3:2:2:	N[5a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:O-2:	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(ON[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a])	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(ON[5a]){1|N<2>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a]){1|H<1>,2|C<3>}	114.6310	0.000	1	114.6310	0.000	1	113.9287	0.379	3	113.9287	0.379	3	113.9287	0.379	3	113.9287	0.379	3
893	643	813	0:SP2_SP2_SP2	O	C[6a]	N[5a]	3:3:	2:2:2:	3:2:2:	N[5a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[5a,6a]-3:N[5a]-2:O-2:	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(ON[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a])	O(N[5a]C[5a,6a]N[5a])(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(ON[5a]){1|N<2>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a]){2|C<3>}	113.5775	0.136	2	113.5775	0.019	2	113.9287	0.379	3	113.9287	0.379	3	113.9287	0.379	3	113.9287	0.379	3
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5,5]	3:3:	3:3:2:	4:3:2:	C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[4,5,5]-4:C[5,5]-3:O-2:	O(C[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5,5])	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]H)(OC[6a])	O(C[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5,5]){1|C<3>,2|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]H)(OC[6a]){1|O<2>,4|F<1>}	113.8390	0.288	4	113.8390	0.083	4	113.8390	0.083	4	113.8390	0.083	4	113.8390	0.083	4	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-2:N[5]-2:O-2:	O(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(OC[5])	C[5](N[5]C[5,6])(N[5]C[5])(OC[6a])	O(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]C)2(OC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5,6])(N[5]C[5])(OC[6a]){1|C<3>,2|N<3>}	120.1780	0.239	2	120.1780	0.057	2	120.1780	0.057	2	120.1780	0.057	2	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-3:N[5]-2:O-2:	O(C[5]C[5,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5])	C[5](C[5,6]C[5,6]C[6])(N[5]S[5])(OC[6a])	O(C[5]C[5,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]S[5])(OC[6a]){1|C<2>,1|C<3>,1|H<1>,2|O<1>}	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	118.6890	0.000	1	118.6890	0.000	1	118.0227	0.597	3	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	O(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	117.6895	0.726	2	117.6895	0.527	2	118.0227	0.597	3	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OC[5])	C[5](C[5]C[5]H)(N[5]C[5])(OC[6a])	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OC[5]){2|Cl<1>,1|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(OC[6a]){1|C<3>,1|H<1>}	111.7340	0.000	1	111.7340	0.000	1	122.6128	49.145	6	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5])	C[5](C[5]C[5]H)(N[5]C[5])(OC[6a])	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(N[5]C[5])(OC[6a]){1|C<3>,1|H<1>}	127.0630	0.287	4	127.0630	0.082	4	122.6128	49.145	6	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5])	C[5](C[5]N[5]Cl)(N[5]O[5])(OC[6a])	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]Cl)(N[5]O[5])(OC[6a]){1|O<1>}	115.6910	0.000	1	115.6910	0.000	1	122.6128	49.145	6	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:S[5]-2:O-2:	O(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5])	C[5](N[5]C[5,6a]Pd)(S[5]C[5,6a])(OC[6a])	O(C[5]N[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[5]){1|C<3>,1|H<1>,1|P<4>}	C[5](N[5]C[5,6a]Pd)(S[5]C[5,6a])(OC[6a]){2|C<3>}	120.4240	0.000	1	120.4240	0.000	1	120.4240	0.000	1	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:N[5]-2:O-2:	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC[6a]){1|H<1>,2|C<3>,2|O<1>}	116.8815	0.885	2	116.8815	0.783	2	116.8815	0.783	2	120.0536	27.537	13	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a])	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	116.5020	0.457	2	116.5020	0.209	2	115.7200	1.939	3	117.3894	4.709	9	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a])	O(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a]){1|H<1>,1|N<2>,4|C<3>}	114.1560	0.000	1	114.1560	0.000	1	115.7200	1.939	3	117.3894	4.709	9	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[5]-3:O-2:	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[5])	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a])	O(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OC[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]N[5])(C[5]C[5]Fe)(OC[6a]){1|O<2>,3|C<3>}	118.2242	2.062	6	118.2242	4.251	6	118.2242	4.251	6	117.3894	4.709	9	119.1909	15.696	28	118.5219	16.913	32
893	643	818	0:SP2_SP2_SP2	O	C[6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:O-2:	O(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(OC[5])	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a])	O(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(OC[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(OC[6a]){4|F<1>}	119.9470	2.042	4	119.9470	4.168	4	119.9470	4.168	4	119.9470	4.168	4	119.1909	15.696	28	118.5219	16.913	32
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:2:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:N[6a]-2:O-2:	O[6]-2:O[6]-2:O-2:S-1:	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	P[6](O[6]C[6])2(OC[6a])(S)	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<4>,1|N<2>,1|S<2>}	P[6](O[6]C[6])2(OC[6a])(S){1|C<4>,4|H<1>}	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:2:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:N[6a]-2:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])2{1|N<3>,4|O<2>}	122.7630	0.775	2	122.7630	0.601	2	122.7630	0.601	2	122.7630	0.601	2	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:2:2:	3:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:N[6a]-2:O-2:	N[6]-3:N[6]-2:O-2:O-2:	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	P[6](N[6]P[6]Cu)(N[6]P[6])(OC[6a])(OC[6])	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,1|C<4>,1|H<1>}	P[6](N[6]P[6]Cu)(N[6]P[6])(OC[6a])(OC[6]){1|N<2>,4|O<2>}	120.6990	0.752	2	122.1435	3.372	4	122.1435	3.372	4	122.1435	3.372	4	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:2:2:	3:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:N[6a]-2:O-2:	N[6]-3:N[6]-2:O-2:O-2:	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6])	P[6](N[6]P[6]Cu)(N[6]P[6])(OC[6a])(OC[6])	O(C[6a]C[6a]N[6a])(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6]Cu)(N[6]P[6])(OC[6a])(OC[6]){1|N<2>,4|O<2>}	123.5880	1.097	2	122.1435	3.372	4	122.1435	3.372	4	122.1435	3.372	4	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a,6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	P[6](O[6]C[6])2(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(P[6]O[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-1:	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[6])	P[6](O[6]C[6])2(OC[6a])(O)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[6]){1|C<3>,1|H<1>,1|O<2>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	126.1210	0.327	2	126.1210	0.107	2	123.2042	6.589	9	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-1:	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6])	P[6](O[6]C[6])2(OC[6a])(O)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[6]){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	123.4585	4.074	2	123.4585	16.595	2	123.2042	6.589	9	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-1:	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](O[6]C[5,6])(O[6]C[6])(OC[6a])(O)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(OC[6a])(O){1|C<3>,2|C<4>,2|H<1>}	121.6065	1.867	2	121.6065	3.487	2	123.2042	6.589	9	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-1:	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](O[6]C[6])2(OC[6a])(O)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,1|H<1>,1|O<2>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	122.5330	2.473	2	122.1553	3.487	3	123.2042	6.589	9	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-1:	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](O[6]C[6])2(OC[6a])(O)	O(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(OC[6a])(O){1|C<4>,4|H<1>}	121.4000	0.000	1	122.1553	3.487	3	123.2042	6.589	9	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:S-1:	O(C[6a]C[6a]2)(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S)	O(C[6a]C[6a]2)(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S){1|C<4>,1|H<1>,2|C<3>}	124.5870	0.000	1	124.5870	0.000	1	124.5870	0.000	1	123.3307	5.445	11	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a,6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|O<2>}	126.8490	2.664	6	125.4624	6.594	12	125.4624	6.594	12	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a,6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[6](N[6]P[6])2(OC[6a])2{2|Cl<1>,1|N<2>,2|O<2>}	124.6310	1.843	4	125.4624	6.594	12	125.4624	6.594	12	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a,6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a,6a]C[6a])(P[6]N[6]2O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[6](N[6]P[6])2(OC[6a])2{4|Cl<1>,1|N<2>}	122.9655	0.282	2	125.4624	6.594	12	125.4624	6.594	12	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])(OC)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){1|H<1>,4|C<3>}	P[6](N[6]P[6])2(OC[6a])(OC){2|Cl<1>,1|N<2>,2|O<2>}	118.5490	1.527	3	118.5490	2.331	3	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	120.3633	4.432	4	120.3633	19.647	4	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	120.5423	1.761	12	120.4014	4.143	28	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|O<2>}	120.4706	1.595	14	120.4014	4.143	28	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<3>,4|O<2>}	119.0715	6.387	2	120.4014	4.143	28	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])2{2|Cl<1>,1|N<2>,2|O<2>}	123.8570	6.053	2	123.8570	36.637	2	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]F)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]F)2(OP[6]){1|C<3>,2|F<1>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|O<2>}	125.0325	3.840	6	125.0325	14.748	6	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OP[6]){1|C<3>,1|H<1>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|O<2>}	121.6468	3.383	14	121.6468	11.442	14	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]C[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,1|C<4>,1|H<1>}	P[6](N[6]C[6])2(OC[6a])2{1|N<2>,2|N<3>}	123.1910	0.000	1	124.5861	1.993	8	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]C[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]C[6])2(OC[6a])2{1|N<2>,2|N<3>}	124.6448	1.604	5	124.5861	1.993	8	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]C[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|N<2>,2|H<1>}	P[6](N[6]C[6])2(OC[6a])2{1|N<2>,2|N<3>}	125.1370	1.045	2	124.5861	1.993	8	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2{1|N<2>,4|O<2>}	123.2135	2.602	4	123.2135	6.770	4	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	124.1082	2.969	4	124.1082	8.815	4	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6,6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6,6])2(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	124.2150	4.570	8	123.4820	18.634	10	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6,6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6,6])2(OC[6a])2{2|N<2>,3|N<3>}	120.5500	0.051	2	123.4820	18.634	10	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])(OC)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	120.5140	0.000	1	121.7690	0.923	5	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])(OC)	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(OC){1|N<2>,2|C<3>,2|O<2>}	122.0828	0.758	4	121.7690	0.923	5	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])2{1|Cl<1>,1|N<2>,3|O<2>}	122.7242	1.919	4	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|C<3>}	121.2138	2.670	12	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|O<2>}	123.3307	3.062	51	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])2{1|N<3>,2|N<2>,2|O<2>}	122.2190	2.734	4	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){1|H<1>,2|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|C<3>}	121.3780	1.543	8	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){3|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,2|C<3>,2|O<2>}	122.7360	1.571	8	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])2	O(C[6a]C[6a]2)(P[6]N[6]2O)	C[6a](C[6a]C[6a]H)2(OP[6]){3|C<3>}	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|C<3>}	119.4615	0.938	4	122.5820	7.996	91	122.3123	9.443	179	122.5102	9.816	191	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	3:2:2:1:	C[6a]-3:P[6]-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(P[6]C[6,6a]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(P[6]C[6,6a]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){2|H<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC[6a])(O){1|H<1>,4|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:N[6]-3:O-2:S-1:	O(C[6a]C[6a]2)(P[6]N[6]2S)	C[6a](C[6a]C[6a]C)2(OP[6])	P[6](N[6]P[6]C)2(OC[6a])(S)	O(C[6a]C[6a]2)(P[6]N[6]2S)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	125.8305	4.710	2	125.8305	22.184	2	125.8305	22.184	2	125.8305	22.184	2	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP[6]){1|H<1>,4|C<3>}	P[6](N[6]P[6])2(OC[6a])(Cl){1|Cl<1>,1|N<2>,3|O<2>}	118.5670	0.000	1	118.5670	0.000	1	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	122.2245	9.339	2	121.5033	40.539	6	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){1|Cl<1>,1|N<2>,3|O<2>}	123.4010	6.611	2	121.5033	40.539	6	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){3|Cl<1>,1|N<2>,1|O<2>}	118.8845	7.058	2	121.5033	40.539	6	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){4|Cl<1>,1|N<2>}	130.4060	0.000	1	130.4060	0.000	1	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	123.0900	3.509	2	122.4008	5.408	5	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	122.1690	2.725	2	122.4008	5.408	5	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,2|O<2>}	121.4860	0.000	1	122.4008	5.408	5	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	124.1840	0.000	1	123.0800	0.507	9	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,2|N<3>}	122.8230	0.684	6	123.0800	0.507	9	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<3>,2|N<2>}	123.2990	0.000	2	123.0800	0.507	9	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	120.0970	3.609	2	121.2170	23.795	5	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){1|N<2>,4|O<2>}	124.4050	0.000	1	121.2170	23.795	5	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]P[6])2(OC[6a])(Cl)	O(P[6]N[6]2Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(OC[6a])(Cl){4|Cl<1>,1|N<2>}	120.7430	8.309	2	121.2170	23.795	5	122.3630	16.088	27	122.3630	16.088	27	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:3:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:N[6]-3:O-2:O-1:	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){1|H<1>,3|C<3>}	117.8770	0.000	1	118.4020	0.551	2	118.4020	0.551	2	118.4020	0.551	2	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	2:3:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:N[6]-3:O-2:O-1:	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](O[6]C[6,6a])(N[6]C[6]C)(OC[6a])(O){2|C<3>,2|H<1>}	118.9270	0.000	1	118.4020	0.551	2	118.4020	0.551	2	118.4020	0.551	2	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O[6]-2:O-2:O-1:	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6])	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){2|H<1>,4|C<3>}	125.1650	0.000	1	125.1650	0.000	1	124.1545	2.042	2	124.1545	2.042	2	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O[6]-2:O-2:O-1:	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	O(P[6]N[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){1|N<2>,2|H<1>,3|C<3>}	123.1440	0.000	1	123.1440	0.000	1	124.1545	2.042	2	124.1545	2.042	2	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:2:2:2:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:N[6]-2:N[6]-2:O-2:	O(P[6]N[5a]N[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a])	O(P[6]N[5a]N[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a]){1|H<1>,1|N<3>,1|O<2>,2|N<2>,4|C<3>}	118.7198	0.857	4	118.7198	0.735	4	118.9560	0.685	8	118.9560	0.685	8	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:2:2:2:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:N[6]-2:N[6]-2:O-2:	O(P[6]N[5a]N[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a])	O(P[6]N[5a]N[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	119.1923	0.845	4	119.1923	0.715	4	118.9560	0.685	8	118.9560	0.685	8	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:3:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:N[6]-3:O-2:O-1:	O(P[6]C[6]N[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O)	O(P[6]C[6]N[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O){1|H<1>,4|C<3>}	121.8633	0.339	3	121.8633	0.115	3	121.8633	0.115	3	124.6523	7.347	9	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:3:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6,6]-3:N[6,6]-3:O-2:S-1:	O(P[6]N[6,6]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S)	O(P[6]N[6,6]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S){1|C<3>,4|C<4>,4|H<1>}	125.1660	0.000	1	125.1660	0.000	1	125.1660	0.000	1	124.6523	7.347	9	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:3:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:N[6]-3:O-2:Se-1:	O(P[6]N[6]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6])	P[6](N[6]P[6]C)2(OC[6a])(Se)	O(P[6]N[6]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6]C)2(OC[6a])(Se){1|Se<1>,1|N<3>,2|O<2>}	124.8895	2.105	2	126.2230	5.654	5	126.2230	5.654	5	124.6523	7.347	9	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	3:3:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:N[6]-3:O-2:Se-1:	O(P[6]N[6]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6])	P[6](N[6]P[6]C)2(OC[6a])(Se)	O(P[6]N[6]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OP[6]){1|C<3>,2|H<1>}	P[6](N[6]P[6]C)2(OC[6a])(Se){2|Se<1>,1|N<3>,2|O<2>}	127.1120	2.476	3	126.2230	5.654	5	126.2230	5.654	5	124.6523	7.347	9	122.5057	10.141	264	122.5057	10.141	264
893	643	849	0:SP2_SP2_SP3	O	C[6a]	P[6]	4:3:	3:3:2:	4:2:2:1:	P[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:O[6]-2:O-2:O-1:	O(P[6]C[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6])	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O)	O(P[6]C[6]O[6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[6]){1|C<3>,2|H<1>}	P[6](C[6]O[6]HH)(O[6]C[6])(OC[6a])(O){1|C<4>,2|H<1>}	122.5138	1.083	4	122.5138	1.172	4	122.5138	1.172	4	122.5138	1.172	4	122.5057	10.141	264	122.5057	10.141	264
893	643	855	0:SP2_SP2_SPD6	O	C[6a]	Si[4x6]	6:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4x6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[4x6]){1|C<3>,2|H<1>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	134.0910	0.000	1	134.0910	0.000	1	130.0328	7.593	4	130.0328	7.593	4	130.0328	7.593	4	131.8498	22.203	5
893	643	855	0:SP2_SP2_SPD6	O	C[6a]	Si[4x6]	6:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6]){1|C<3>,1|C<4>,1|H<1>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	128.3350	0.327	2	128.6800	0.410	3	130.0328	7.593	4	130.0328	7.593	4	130.0328	7.593	4	131.8498	22.203	5
893	643	855	0:SP2_SP2_SPD6	O	C[6a]	Si[4x6]	6:3:	3:3:2:	3:3:3:3:2:2:	Si[4x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6])	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2	O(Si[4x6]N[5a,6,6]4O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[4x6]){1|C<3>,1|H<1>,1|I<1>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC[6a])2{4|N<2>,8|C<3>}	129.3700	0.000	1	128.6800	0.410	3	130.0328	7.593	4	130.0328	7.593	4	130.0328	7.593	4	131.8498	22.203	5
893	643	855	0:SP2_SP2_SPD6	O	C[6a]	Si[6,6]	6:3:	3:3:2:	3:2:2:3:3:2:	Si[6,6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:O-2:	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6,6])	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a])	O(Si[6,6]C[6a]N[6]2O[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[6,6]){1|C<3>,2|H<1>}	Si[6,6](C[6a]C[6a]2)(O[6]C[6,6a])2(N[6]C[6]C)2(OC[6a]){2|C<4>,2|H<1>,6|C<3>}	139.1180	0.000	1	139.1180	0.000	1	139.1180	0.000	1	139.1180	0.000	1	139.1180	0.000	1	131.8498	22.203	5
893	643	857	0:SP2_SP2_SP2	O	C[6a]	Ge[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:Ge[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(Ge[4]N[4]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4])	Ge[4](N[4]C[4]C)2(OC[6a])	O(C[6a]C[6a]2)(Ge[4]N[4]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OGe[4]){1|C<3>,1|H<1>,1|O<2>}	Ge[4](N[4]C[4]C)2(OC[6a]){1|C<3>}	139.4515	4.491	2	139.4515	20.168	2	139.4515	20.168	2	139.4515	20.168	2	139.4515	20.168	2	139.4515	20.168	2
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[3x6]){1|H<1>,4|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	120.6320	1.745	4	120.6320	3.044	4	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OB[3x6]){1|H<1>,2|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	121.3313	1.092	3	121.3313	1.191	3	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(OB[3x6]){2|Br<1>,1|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	118.6105	4.354	2	118.6105	18.954	2	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	116.6200	0.402	2	116.6200	0.161	2	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(OB[3x6]){2|Cl<1>,1|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	121.0580	0.000	1	121.0580	0.000	1	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OB[3x6]){1|C<3>,2|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	115.2380	0.000	1	115.2380	0.000	1	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(OB[3x6]){1|C<3>,2|F<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	116.2057	1.811	4	116.2057	3.280	4	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6]){1|C<3>,2|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	118.4480	0.000	1	118.4480	0.000	1	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[3x6]){1|C<3>,2|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	119.9560	0.000	1	119.9560	0.000	1	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OB[3x6]){1|C<3>,1|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	116.2190	0.000	1	116.2190	0.000	1	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|Br<1>,1|C<3>,1|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	119.5600	0.000	1	120.7944	30.707	27	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,1|H<1>,1|I<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	123.9365	5.636	2	120.7944	30.707	27	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|C<3>,2|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	120.7137	5.933	22	120.7944	30.707	27	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|Cl<1>,1|C<3>,1|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	119.6850	0.000	1	120.7944	30.707	27	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[3x6]	4:3:	3:3:2:	3:3:3:2:	B[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a])	O(B[3x6]N[5a,6,6]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[3x6]){1|N<2>,2|H<1>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OC[6a]){3|N<2>,6|C<3>}	118.6300	0.000	1	120.7944	30.707	27	119.8760	21.454	47	119.8760	21.454	47	119.8760	21.454	47	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:B[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OB[6])	B[6](O[6]C[6])2(OC[6a])2	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OB[6]){1|H<1>,6|C<3>}	B[6](O[6]C[6])2(OC[6a])2{3|C<3>}	113.5820	1.290	2	113.5820	1.663	2	113.8303	2.383	4	113.8303	2.383	4	118.2857	18.386	11	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[6]	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:B[6]-4:	C[6a]-3:C[6a]-3:O-2:	O[6]-2:O[6]-2:O-2:O-2:	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6])	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2	O(C[6a]C[6a]2)(B[6]O[6]2O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OB[6]){1|H<1>,4|C<3>}	B[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])2{3|C<3>}	114.0785	2.289	2	114.0785	5.239	2	113.8303	2.383	4	113.8303	2.383	4	118.2857	18.386	11	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[6]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:B[6]-4:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:N[6]-3:O-2:F-1:	O(C[6a]C[6a]2)(B[6]N[6]2F)	C[6a](C[6a]C[6a]H)2(OB[6])	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	O(C[6a]C[6a]2)(B[6]N[6]2F)	C[6a](C[6a]C[6a]H)2(OB[6]){1|C<3>,2|H<1>}	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	118.2857	18.386	11	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6])	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6]){1|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	120.1960	4.004	2	120.1960	16.029	2	119.8835	8.237	4	120.4748	9.316	6	118.2857	18.386	11	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6])	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	O(B[6]N[5a,6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB[6]){1|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	119.5710	2.879	2	119.5710	8.291	2	119.8835	8.237	4	120.4748	9.316	6	118.2857	18.386	11	119.5744	20.935	58
893	643	874	0:SP2_SP2_SP3	O	C[6a]	B[6]	4:3:	3:3:2:	3:3:2:2:	B[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[6])	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2	O(B[6]N[5a,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[6]){1|C<3>,2|H<1>}	B[6](N[5a,6]C[5a,6]C[5a])2(OC[6a])2{2|C<4>,5|C<3>}	121.6575	4.204	2	121.6575	17.672	2	121.6575	17.672	2	120.4748	9.316	6	118.2857	18.386	11	119.5744	20.935	58
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:2:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:N[6a]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OSi){1|H<1>,1|N<3>,1|O<1>}	Si(OC[6a])(CH3)3	126.5320	0.332	2	126.5320	0.110	2	126.5948	0.344	4	126.5948	0.344	4	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:2:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:N[6a]-2:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]N[6a])(SiC3)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OSi){1|C<3>,1|H<1>}	Si(OC[6a])(CH3)3	126.6575	0.951	2	126.6575	0.905	2	126.5948	0.344	4	126.5948	0.344	4	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:Cl-1:	O(C[6a]C[6a]2)(SiClOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])3(Cl)	O(C[6a]C[6a]2)(SiClOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(Cl)	121.9150	0.142	3	121.9150	0.020	3	121.9150	0.020	3	132.0407	20.310	47	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:S-1:	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])3(S)	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(S)	132.7311	3.753	44	132.7311	14.085	44	132.7311	14.085	44	132.0407	20.310	47	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:O-2:	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])3(OSi)	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(OSi)	131.3745	0.018	2	131.3745	0.000	2	132.6180	153.367	11	132.6577	99.481	17	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:O-2:	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])4	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])4	133.8740	14.446	8	133.8740	208.684	8	132.6180	153.367	11	132.6577	99.481	17	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:O-2:	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]H)2(OSi)	Si(OC[6a])3(OSi)	O(C[6a]C[6a]2)(SiO3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(OSi)	125.0570	0.000	1	125.0570	0.000	1	132.6180	153.367	11	132.6577	99.481	17	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:S-2:	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])3(SAg)	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(SAg)	133.0443	3.474	3	133.0443	12.069	3	132.7305	11.595	6	132.6577	99.481	17	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:S-2:	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])3(SH)	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(SH)	132.4167	4.077	3	132.4167	16.624	3	132.7305	11.595	6	132.6577	99.481	17	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:3:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:S-3:	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])3(SAg2)	O(C[6a]C[6a]2)(SiOOS)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(SAg2)	134.7868	7.061	9	134.7868	49.859	9	134.7868	49.859	9	134.7868	49.859	9	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:Si-4:	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])3(SiSi3)	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(SiSi3)	141.3110	0.008	3	141.3110	0.000	3	130.3595	50.267	11	130.3595	50.267	11	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:2:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:Si-4:	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])3(SiSi3)	O(C[6a]C[6a]2)(SiSiOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])3(SiSi3)	126.2526	1.065	8	126.2526	1.134	8	130.3595	50.267	11	130.3595	50.267	11	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:Cl-1:	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	Si(OC[6a])2(CH3)(Cl)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	Si(OC[6a])2(CH3)(Cl)	123.0050	0.000	1	123.0050	0.000	1	122.2950	6.847	4	122.2950	6.847	4	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:Cl-1:	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	Si(OC[6a])2(CH3)(Cl)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])2(CH3)(Cl)	123.8745	0.279	2	123.8745	0.078	2	122.2950	6.847	4	122.2950	6.847	4	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:Cl-1:	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])2(CH3)(Cl)	O(C[6a]C[6a]2)(SiClCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])2(CH3)(Cl)	118.4260	0.000	1	118.4260	0.000	1	122.2950	6.847	4	122.2950	6.847	4	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:C-4:	O(C[6a]C[6a,6a]C[6a])(SiCCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi)	Si(OC[6a])2(CCHH)2	O(C[6a]C[6a,6a]C[6a])(SiCCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi){1|H<1>,3|C<3>}	Si(OC[6a])2(CCHH)2	130.9670	3.175	2	130.9670	10.080	2	130.9670	10.080	2	128.4523	14.511	71	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi)	Si(OC[6a])2(CH3)2	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])2(CH3)2	130.6990	0.000	1	130.6990	0.000	1	128.3794	14.598	69	128.4523	14.511	71	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])2(CH3)2	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,1|H<1>,1|O<2>}	Si(OC[6a])2(CH3)2	128.3817	3.762	63	128.3817	14.152	63	128.3794	14.598	69	128.4523	14.511	71	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])2(CH3)2	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])2(CH3)2	125.5717	5.828	3	125.5717	33.963	3	128.3794	14.598	69	128.4523	14.511	71	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(OSi)	Si(OC[6a])2(CH3)2	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])2(CH3)2	131.3595	0.719	2	131.3595	0.517	2	128.3794	14.598	69	128.4523	14.511	71	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:H-1:	O(C[6a]C[6a]2)(SiCCH)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])(CH3)2(H)	O(C[6a]C[6a]2)(SiCCH)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CH3)2(H)	126.2740	4.539	4	126.2740	20.602	4	126.2740	20.602	4	126.2740	20.602	4	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[5,6a]C[6a])(SiC3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OSi){1|C<3>,2|C<4>,3|H<1>}	Si(OC[6a])(CC3)(CH3)2	130.2190	0.000	1	130.2190	0.000	1	130.2190	0.000	1	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OSi){1|Mn<8>,1|C<3>,4|C<4>}	Si(OC[6a])(CC3)(CH3)2	125.9490	0.000	1	125.9490	0.000	1	129.2353	41.247	6	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OSi){1|Cr<9>,2|C<3>,3|C<4>}	Si(OC[6a])(CC3)(CH3)2	123.5840	1.669	2	123.5840	2.785	2	129.2353	41.247	6	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6,6a]C[6a])(SiC3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi){1|H<1>,2|C<3>,2|C<4>}	Si(OC[6a])(CC3)(CH3)2	134.0983	5.377	3	134.0983	28.914	3	129.2353	41.247	6	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[4,6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a,6a]C[4,6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a,6a]C[4,6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi){1|H<1>,5|C<3>}	Si(OC[6a])(CH3)3	124.3750	0.168	2	124.3750	0.028	2	124.3750	0.028	2	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|C<4>,1|H<1>,3|C<3>}	Si(OC[6a])(CC3)(CH3)2	128.8360	0.000	1	126.9725	6.945	2	126.4927	3.074	7	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,4|C<3>}	Si(OC[6a])(CC3)(CH3)2	125.1090	0.000	1	126.9725	6.945	2	126.4927	3.074	7	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,1|O<2>,3|C<3>}	Si(OC[6a])(CH3)3	126.1925	1.882	4	126.1925	3.540	4	126.4927	3.074	7	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a,6a]C[6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	Si(OC[6a])(CC3)(CH3)2	126.7340	0.000	1	126.7340	0.000	1	126.4927	3.074	7	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OSi){1|C<3>,1|H<1>,1|O<2>}	Si(OC[6a])(CC3)(CH3)2	134.6790	0.000	1	134.6790	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	Si(OC[6a])(CC3)(CH3)2	126.7823	0.370	3	126.7823	0.137	3	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	Si(OC[6a])(CC3)(CH3)2	129.6620	4.232	4	129.6620	17.914	4	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	Si(OC[6a])(CC3)(CH3)2	134.6965	1.597	2	134.6965	2.552	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OSi){1|H<1>,4|C<3>}	Si(OC[6a])(CH3)3	134.7565	0.641	2	134.7565	0.411	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OSi){1|H<1>,2|C<3>}	Si(OC[6a])(CC3)(CH3)2	131.0880	0.000	1	131.0880	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CCHH)(CC3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CCHH)(CC3)2	138.6940	0.000	1	138.6940	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|N<3>}	Si(OC[6a])(CC3)(CH3)2	133.5560	0.000	1	134.5985	2.174	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	Si(OC[6a])(CC3)(CH3)2	135.6410	0.000	1	134.5985	2.174	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,1|H<1>,1|O<2>}	Si(OC[6a])(CH3)3	128.1850	3.027	8	128.1850	9.160	8	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,1|C<4>,1|H<1>}	Si(OC[6a])(CC3)(CH3)2	126.9500	0.000	1	126.9500	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CH3)3	142.1083	7.326	3	142.1083	53.677	3	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OSi){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<2>}	Si(OC[6a])(CC3)(CH3)2	128.8630	0.303	2	128.8630	0.092	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	Si(OC[6a])(CC3)(CH3)2	126.8220	0.000	1	126.8220	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OSi){2|Cl<1>,1|C<3>}	Si(OC[6a])(CH3)3	124.3280	0.000	1	124.3280	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])(CCCH)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,1|H<1>,1|N<2>}	Si(OC[6a])(CCCH)3	132.1835	0.558	2	134.4570	15.662	3	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])(CCCH)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CCCH)3	139.0040	0.000	1	134.4570	15.662	3	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(OC[6a])(CH3)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CH3)3	128.8328	1.106	4	128.8328	1.223	4	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OSi){1|H<1>,2|C<3>}	Si(OC[6a])(CC3)(CH3)2	124.3505	6.277	2	124.3505	39.401	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi)	Si(OC[6a])(CCCH)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CCCH)3	129.8200	0.000	1	129.8200	0.000	1	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi)	Si(OC[6a])(CC3)(CH3)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CC3)(CH3)2	128.7236	4.001	9	128.7236	16.007	9	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi)	Si(OC[6a])(CCCH)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CCCH)3	130.5470	0.000	1	130.2305	19.818	4	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi)	Si(OC[6a])(CCCH)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<4>,2|C<3>}	Si(OC[6a])(CCCH)3	130.1250	5.446	3	130.2305	19.818	4	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]S)2(OSi)	Si(OC[6a])(CCCH)3	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]S)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a])(CCCH)3	137.7420	4.073	2	137.7420	16.589	2	130.7251	27.234	57	130.0159	26.843	73	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:2:2:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:Cl-1:	O(C[6a]C[6a]2)(SiC[6a]ClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	Si(C[6a]C[6a]2)(OC[6a])2(Cl)	O(C[6a]C[6a]2)(SiC[6a]ClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(OC[6a])2(Cl)	124.9005	0.364	2	124.9005	0.133	2	124.9005	0.133	2	124.9005	0.133	2	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiC[6a]CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	Si(C[6a]C[6a]2)(OC[6a])(CC3)(CH3)	O(C[6a]C[6a]2)(SiC[6a]CC)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	Si(C[6a]C[6a]2)(OC[6a])(CC3)(CH3)	135.3250	0.000	1	135.3250	0.000	1	135.3250	0.000	1	130.2925	50.652	2	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	O-3:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi)	Si(OC[6a]Ti)(OC[6a])(CH3)2	O(C[6a]C[6a]2)(SiCCO)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(OC[6a]Ti)(OC[6a])(CH3)2	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	130.2925	50.652	2	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])2	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6a])2	129.0910	0.552	2	129.0910	0.304	2	130.3050	9.820	8	130.3050	9.820	8	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])2	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6a])2	132.1430	3.508	4	132.1430	12.308	4	130.3050	9.820	8	130.3050	9.820	8	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:2:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])2	O(C[6a]C[6a]2)(SiC[6a]2O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6a])2	127.8430	1.711	2	127.8430	2.928	2	130.3050	9.820	8	130.3050	9.820	8	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6a]C[5,6a]C[6a])(SiC[6a]2C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	O(C[6a]C[5,6a]C[6a])(SiC[6a]2C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OSi){1|C<4>,1|H<1>,2|C<3>}	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	126.6580	0.000	1	126.6580	0.000	1	126.6580	0.000	1	136.0934	48.610	7	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:Si-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	O(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OSi){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	144.5130	4.117	2	144.5130	16.948	2	144.5130	16.948	2	136.0934	48.610	7	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OSi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	134.7205	2.386	2	134.7205	5.695	2	134.2425	10.067	4	136.0934	48.610	7	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi)	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OSi){1|H<1>,4|C<3>}	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	137.1990	0.000	1	137.1990	0.000	1	134.2425	10.067	4	136.0934	48.610	7	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:3:2:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:C-4:	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a]H)2(OSi)	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	O(C[6a]C[6a]2)(SiC[6a]2C)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)2(OC[6a])(CC3)	130.3300	0.000	1	130.3300	0.000	1	134.2425	10.067	4	136.0934	48.610	7	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	3:4:2:1:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:O-2:H-1:	O(C[6a]C[6a]2)(SiC[6a]CH)	C[6a](C[6a]C[6a]C)2(OSi)	Si(C[6a]C[6a]2)(CC[6a]CH)(OC[6a])(H)	O(C[6a]C[6a]2)(SiC[6a]CH)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(CC[6a]CH)(OC[6a])(H)	122.1450	0.000	1	122.1450	0.000	1	122.1450	0.000	1	122.1450	0.000	1	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	4:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi)	Si(CC[6a]HH)(OC[6a])(CCCH)2	O(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(OSi){1|C<3>,2|H<1>}	Si(CC[6a]HH)(OC[6a])(CCCH)2	128.8560	0.000	1	128.8560	0.000	1	128.8560	0.000	1	133.7140	47.200	2	130.2104	31.958	262	130.2104	31.958	262
893	643	880	0:SP2_SP2_SP3	O	C[6a]	Si	3:4:	3:3:2:	4:2:4:4:	C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:C-4:C-4:	O(C[6a]C[6a]2)(SiC[5]CC)	C[6a](C[6a]C[6a]C)2(OSi)	Si(C[5]C[5]2Ti)(OC[6a])(CH3)2	O(C[6a]C[6a]2)(SiC[5]CC)	C[6a](C[6a]C[6a]C)2(OSi){1|C<3>,2|H<1>}	Si(C[5]C[5]2Ti)(OC[6a])(CH3)2	138.5720	0.000	1	138.5720	0.000	1	138.5720	0.000	1	133.7140	47.200	2	130.2104	31.958	262	130.2104	31.958	262
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]C)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]C)2(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|O<2>}	121.1740	0.567	2	121.1740	0.322	2	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]Cl)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]Cl)2(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){2|N<3>}	118.6360	0.000	1	118.6360	0.000	1	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	P[4](N[4]P[4]C)2(OC[6a]){1|N<3>}	121.5380	0.731	2	121.5380	0.535	2	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	P[4](N[4]P[4]C)2(OC[6a]){1|O<2>}	129.8400	0.276	2	122.5545	34.323	6	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|Cu<3>,1|O<2>}	117.9535	0.013	2	122.5545	34.323	6	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|Pd<4>,1|O<2>}	117.7930	0.000	1	122.5545	34.323	6	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|Rh<6>,1|O<2>}	121.9470	0.000	1	122.5545	34.323	6	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|N<3>}	123.6000	0.000	1	124.4013	5.283	4	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|O<2>}	124.6683	2.738	3	124.4013	5.283	4	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	P[4](N[4]P[4]C)2(OC[6a]){1|N<3>}	122.9790	0.000	1	123.1180	16.740	7	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	P[4](N[4]P[4]C)2(OC[6a]){1|O<2>}	122.0550	3.989	4	123.1180	16.740	7	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	882	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:3:	3:3:2:	3:3:2:	C[6a]-3:P[4]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])	O(C[6a]C[6a]2)(P[4]N[4]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a]){1|O<2>}	125.3135	6.206	2	123.1180	16.740	7	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22	122.6735	15.502	22
893	643	885	0:SP2_SP-NON_SP2	O	C[6a]	Ga[5]	4:3:	3:3:2:	3:3:2:2:	Ga[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	N[5,6a]-3:N[5,6]-3:O-2:O-2:	O(Ga[5]N[5,6a]N[5,6]O)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5])	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OC[6a])2	O(Ga[5]N[5,6a]N[5,6]O)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OGa[5]){1|H<1>,3|C<3>}	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OC[6a])2{2|H<1>,4|C<3>}	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1
893	643	887	0:SP2_SP2_SP3	O	C[6a]	S	3:3:	3:3:2:	2:2:1:	C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS)	S(OC[6a])(OP)(O)	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	S(OC[6a])(OP)(O)	119.8550	0.434	2	119.8550	0.188	2	120.8193	3.504	6	120.8193	3.504	6	120.8193	3.504	6	120.8193	3.504	6
893	643	887	0:SP2_SP2_SP3	O	C[6a]	S	3:3:	3:3:2:	2:2:1:	C[6a]-3:S-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS)	S(OC[6a])2(O)	O(C[6a]C[6a]2)(SOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OS){1|C<3>,2|H<1>}	S(OC[6a])2(O)	121.3015	2.202	4	121.3015	4.848	4	120.8193	3.504	6	120.8193	3.504	6	120.8193	3.504	6	120.8193	3.504	6
893	643	894	0:SP2_SP2_SPD6	O	C[6a]	P[5,3x6]	6:3:	3:3:2:	3:3:3:3:2:2:	P[5,3x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[5,3x6])	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC[6a])2	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OP[5,3x6]){1|H<1>,2|C<3>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OC[6a])2{11|C<3>}	129.4675	0.883	2	129.4675	0.780	2	129.4675	0.780	2	129.4675	0.780	2	129.4675	0.780	2	129.4675	0.780	2
893	643	899	0:SP2_SP-NON_SP2	O	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])	117.0200	0.000	1	117.0200	0.000	1	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6
893	643	899	0:SP2_SP-NON_SP2	O	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C(OC[6a])	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	C(OC[6a])	118.1380	0.000	1	118.1380	0.000	1	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6
893	643	899	0:SP2_SP-NON_SP2	O	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C(OC[6a])	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C(OC[6a])	117.9920	0.000	1	117.9920	0.000	1	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6
893	643	899	0:SP2_SP-NON_SP2	O	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<2>}	C(OC[6a])	120.2870	0.000	1	117.5313	8.219	3	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6
893	643	899	0:SP2_SP-NON_SP2	O	C[6a]	C	3:1:	3:3:2:	2:	C[6a]-3:C-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])	O(C[6a]C[6a]2)(C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])	116.1535	2.246	2	117.5313	8.219	3	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6	117.6240	3.445	6
893	643	902	0:SP2_SP2_SP2	O	C[6a]	C[3]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:O-2:	C[3]-3:C[3]-3:O-2:	O(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(OC[3])	C[3](C[3]C[3]N)2(OC[6a])	O(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(OC[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]N)2(OC[6a])	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1	117.5640	0.000	1
893	643	917	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:O-1:	O(C[6a]C[6a]2)(P[4]N[4]2O)	C[6a](C[6a]C[6a]C)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])(O)	O(C[6a]C[6a]2)(P[4]N[4]2O)	C[6a](C[6a]C[6a]C)2(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a])(O){1|O<1>,1|O<2>}	124.6238	1.135	4	124.6238	1.289	4	124.6238	1.289	4	126.8861	7.478	8	128.2956	11.424	14	128.2956	11.424	14
893	643	917	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:S-1:	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])(S)	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a])(S){1|N<3>,1|S<1>}	130.3060	1.368	2	130.3060	1.870	2	129.1485	2.511	4	126.8861	7.478	8	128.2956	11.424	14	128.2956	11.424	14
893	643	917	0:SP2_SP2_SP3	O	C[6a]	P[4]	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:S-1:	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])(S)	O(C[6a]C[6a]2)(P[4]N[4]2S)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a])(S){1|O<2>,1|S<1>}	127.9910	0.550	2	127.9910	0.303	2	129.1485	2.511	4	126.8861	7.478	8	128.2956	11.424	14	128.2956	11.424	14
893	643	917	0:SP2_SP2_SP3	O	C[6a]	P[4]	4:3:	3:3:2:	3:3:2:1:	P[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:Se-1:	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	P[4](N[4]P[4]C)2(OC[6a])(Se)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a])(Se){1|Se<1>,1|N<3>}	131.6210	0.928	2	131.6210	0.861	2	130.1750	11.817	6	130.1750	11.817	6	128.2956	11.424	14	128.2956	11.424	14
893	643	917	0:SP2_SP2_SP3	O	C[6a]	P[4]	4:3:	3:3:2:	3:3:2:1:	P[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:Se-1:	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])(Se)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,1|H<1>,1|O<2>}	P[4](N[4]P[4]C)2(OC[6a])(Se){1|Se<1>,1|O<2>}	132.1120	3.899	2	129.4520	17.317	4	130.1750	11.817	6	130.1750	11.817	6	128.2956	11.424	14	128.2956	11.424	14
893	643	917	0:SP2_SP2_SP3	O	C[6a]	P[4]	4:3:	3:3:2:	3:3:2:1:	P[4]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[4]-3:N[4]-3:O-2:Se-1:	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4])	P[4](N[4]P[4]C)2(OC[6a])(Se)	O(P[4]N[4]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OP[4]){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(OC[6a])(Se){1|Se<1>,1|O<2>}	126.7920	2.906	2	129.4520	17.317	4	130.1750	11.817	6	130.1750	11.817	6	128.2956	11.424	14	128.2956	11.424	14
893	643	927	0:SP2_SP2_SP2	O	C[6a]	B[6a]	3:3:	3:3:2:	2:2:2:	B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	O[6a]-2:O[6a]-2:O-2:	O(B[6a]O[6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[6a])	B[6a](O[6a]B[6a])2(OC[6a])	O(B[6a]O[6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OB[6a]){1|C<3>,2|H<1>}	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	124.6715	1.781	2	124.6715	3.173	2	124.6715	3.173	2	124.6715	3.173	2	129.0122	13.912	6	129.0122	13.912	6
893	643	927	0:SP2_SP2_SP2	O	C[6a]	B[6a]	3:3:	3:3:2:	3:2:2:	B[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:O[6a]-2:O-2:	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a])	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB[6a]){2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a]){1|H<1>,4|C<3>}	131.1825	1.813	4	131.1825	3.287	4	131.1825	3.287	4	131.1825	3.287	4	129.0122	13.912	6	129.0122	13.912	6
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	2:3:2:	2:2:1:	C[6a]-3:C-3:	N[6a]-2:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC){3|C<3>}	C(OC[6a])(OC)(O)	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	2:3:2:	2:3:1:	C[6a]-3:C-3:	O[6a]-2:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]O[6a])(CCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(OC)	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]O[6a])(CCH)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(OC){1|O<1>,2|C<3>}	C(OC[6a])(CCC)(H)	127.7600	0.000	1	127.7600	0.000	1	127.7600	0.000	1	127.7600	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(OC)(O)	117.0623	1.128	3	117.0623	1.272	3	117.0623	1.272	3	117.0623	1.272	3	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]N[6a])(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]N[6a])(CNO)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<4>,1|N<2>,1|N<3>}	C(OC[6a])(NCC)(O)	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:O-2:	O-2:C-3:C-3:	O(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC)	C(OC[6a])(CCC)(CCO)	O(C[6a]C[6a]N[6a])(CCC)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCC)(CCO)	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	114.5970	0.000	1	114.5970	0.000	1	114.5970	0.000	1	115.5210	1.708	2	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	115.5210	1.708	2	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	3:2:2:	C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:O-2:	C-3:O-2:C-2:	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	C(CC[6a]C)(OC[6a])(CC)	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<2>,4|C<3>}	C(CC[6a]C)(OC[6a])(CC)	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	3:2:3:	C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:O-2:C-3:	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC)	C(C[6a]C[6a]2)(OC[6a])(CHH)	O(C[6a]C[6a,6a]N[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(CHH)	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:2:2:	3:2:4:	C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:O-2:	C-3:O-2:C-4:	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC)	C(CC[6a]C)(OC[6a])(CCHH)	O(C[6a]C[6a,6a]N[6a])(CCC)	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])(OC){1|C<4>,4|C<3>}	C(CC[6a]C)(OC[6a])(CCHH)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6,6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6,6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(H)2	116.9490	0.000	1	116.9490	0.000	1	119.9520	18.036	2	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CHH)	C[6a](C[6a,6a]C[6,6a,6a]C[5a,6a])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,3|C<3>}	C(OC[6a])(H)2	122.9550	0.000	1	122.9550	0.000	1	119.9520	18.036	2	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(H)2	122.1595	2.942	2	122.1595	8.657	2	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(OC[6a])(H)2	113.6810	0.000	1	113.6810	0.000	1	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]O)(OC){3|C<3>}	C(OC[6a])(H)2	113.8560	0.000	1	113.8560	0.000	1	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(H)2	119.5655	0.790	2	119.5655	0.624	2	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(OC[6a])(H)2	117.8040	0.000	1	117.8040	0.000	1	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(H)2	118.9505	3.038	2	121.1922	56.176	6	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<4>}	C(OC[6a])(H)2	118.5500	0.000	1	121.1922	56.176	6	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:1:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(H)2	123.5673	10.902	3	121.1922	56.176	6	119.6880	32.469	13	119.7232	29.127	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	C(OC[6a])(OC)(O)	118.0940	0.023	2	118.0940	0.001	2	116.8884	3.722	5	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C(OC[6a])(OC)(O)	118.5400	0.000	1	118.5400	0.000	1	116.8884	3.722	5	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OC){1|H<1>,3|C<3>}	C(OC[6a])(OC)(O)	114.1500	0.000	1	114.1500	0.000	1	116.8884	3.722	5	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a,6a]C[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C(OC[6a])(OC)(O)	115.5640	0.000	1	115.5640	0.000	1	116.8884	3.722	5	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-2:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C(NC[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(NC[6a])(OC[6a])(O)	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CC)(O)	117.6420	0.577	4	117.6420	0.333	4	117.6420	0.333	4	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:H-1:	O(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])2(H)	O(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])2(H)	113.8187	0.875	4	113.8187	0.765	4	113.8187	0.765	4	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(OC)(O)	117.7540	0.000	1	117.7540	0.000	1	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C(OC[6a])(OC[6])(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(OC[6])(O)	117.3245	1.572	4	117.3245	2.472	4	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(OC[6])(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(OC[6])(O)	119.3523	2.926	3	119.3523	8.562	3	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])2(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])2(O)	118.8960	0.000	1	118.8960	0.000	1	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(OC[6])(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(OC[6])(O)	115.8685	3.710	2	115.8685	13.766	2	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(OC)(O)	116.7657	0.687	6	116.7657	0.472	6	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|O<1>,2|O<2>}	C(OC[6a])(OC)(O)	115.1325	0.916	2	115.1325	0.839	2	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(OC)(O)	115.6970	0.000	1	115.6970	0.000	1	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)2(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C(OC[6a])(OC)(O)	116.7046	0.646	5	116.7046	0.417	5	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])2(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(OC[6a])2(O)	114.7305	0.948	2	114.7305	0.899	2	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[5a])(OC[6a])(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[5a])(OC[6a])(O)	116.8930	0.237	4	116.8930	0.056	4	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6,6])(OC[6a])(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6,6])(OC[6a])(O)	117.7880	0.000	1	117.7880	0.000	1	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C(OC[6a])(OC)(O)	118.7740	0.335	2	117.2747	1.839	12	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(OC)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(OC)(O)	116.9749	1.279	10	117.2747	1.839	12	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(OC[6])(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(OC[6])(O)	119.1450	0.000	1	119.1450	0.000	1	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(ON)(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(ON)(O)	119.3808	2.675	5	119.3808	7.153	5	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])2(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])2(O)	117.5260	0.000	1	117.8151	0.725	7	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-1:	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])2(O)	O(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])2(O)	117.8633	0.922	6	117.8151	0.725	7	117.3455	3.094	57	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:S-1:	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[3x6])(OC[6a])(S)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[3x6])(OC[6a])(S)	119.1450	0.791	2	119.1450	0.625	2	119.3855	0.286	4	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:S-1:	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6,6])(OC[6a])(S)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6,6])(OC[6a])(S)	119.6430	0.000	1	119.6430	0.000	1	119.3855	0.286	4	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:S-1:	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(OC[5])(S)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(OC[5])(S)	119.6090	0.000	1	119.6090	0.000	1	119.3855	0.286	4	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:S-2:O-1:	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(SC)(O)	O(C[6a]C[6a]2)(COS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(OC[6a])(SC)(O)	119.2890	0.192	4	119.2890	0.037	4	119.2890	0.037	4	117.3391	3.549	79	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-2:O-2:C-3:	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Cl)2(OC)	C(NC[6a])(OC[6a])(CCH)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	C(NC[6a])(OC[6a])(CCH)	117.3175	0.532	2	117.3175	0.284	2	117.3175	0.284	2	117.7355	0.409	6	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-2:O-2:N-3:	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C(NC[5a])(OC[6a])(NCH)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(NC[5a])(OC[6a])(NCH)	117.1040	0.000	1	117.1040	0.000	1	117.8160	1.014	2	117.7355	0.409	6	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-2:O-2:N-3:	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[5a])(OC[6a])(NCH)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C(NC[5a])(OC[6a])(NCH)	118.5280	0.000	1	118.5280	0.000	1	117.8160	1.014	2	117.7355	0.409	6	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:C-3:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])2(COO)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])2(COO)	118.0730	0.395	2	118.0730	0.156	2	118.0730	0.156	2	117.7355	0.409	6	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[5,6a]C[6a])(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC)	C(OC[6a])(CCH)(H)	O(C[6a]C[5,6a]C[6a])(CCH)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C(OC[6a])(CCH)(H)	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(OC[6a])(NCH)(O)	116.8510	0.000	1	117.3510	0.435	5	117.3510	0.435	5	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[5,6a]C[6a])(CNO)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C(OC[6a])(NCH)(O)	117.4760	0.690	4	117.3510	0.435	5	117.3510	0.435	5	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6,6a]C[6a])(CNS)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6,6a]C[6a])(CNS)	C[6a](C[6,6a]C[6,6a]P[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(OC[6a])(NCC)(S)	118.8080	0.000	1	118.8080	0.000	1	118.8080	0.000	1	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(OC[6a])(CCH)(O)	117.2960	0.000	1	117.2960	0.000	1	117.2960	0.000	1	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:F-1:	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CFF)(F)	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CFF)(F)	116.9515	0.794	2	116.9515	0.631	2	117.6175	0.978	4	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:F-1:	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CFO)(F)	O(C[6a]C[6a]2)(CCF)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CFO)(F)	118.2835	0.728	2	118.2835	0.529	2	117.6175	0.978	4	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CHH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CHH)(H)	114.8920	0.000	1	114.8920	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(H)	120.0980	0.000	1	120.0980	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(COO)(H)	118.7400	0.000	1	118.7400	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C(OC[6a])(CCH)(H)	117.4540	0.000	1	117.4540	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(H)	116.5250	0.000	1	116.5250	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C(OC[6a])(CRhC)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CRhC)(H)	112.5230	0.339	2	112.5230	0.115	2	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCC)(H)	119.4550	0.000	1	119.4550	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|C<2>}	C(OC[6a])(COO)(H)	118.4700	0.000	1	118.4700	0.000	1	116.7422	8.162	9	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCH)(O)	118.2580	0.000	1	118.2580	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(CCH)(O)	118.6075	0.421	2	118.6075	0.177	2	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CCH)(O)	119.6937	1.477	3	119.6937	2.181	3	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	115.4750	0.000	1	115.4750	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	115.1850	0.000	1	115.1850	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCC)(O)	116.4880	0.000	1	116.4880	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	115.8900	0.755	2	115.8900	0.570	2	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	117.0590	0.000	1	117.0590	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	119.3500	0.000	1	119.3500	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(CHN)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHN)(O)	116.8930	0.000	1	116.8930	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CCH)(O)	113.9925	0.663	2	113.9925	0.439	2	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CCC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCC)(O)	116.9550	0.000	1	116.9550	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	116.2940	0.000	1	116.2940	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCC)(O)	118.5058	0.981	5	118.3080	1.004	6	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCC)(O)	117.3190	0.000	1	118.3080	1.004	6	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C(OC[6a])(CCH)(O)	121.5330	0.000	1	118.7616	2.788	9	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CCH)(O)	119.9280	0.000	1	118.7616	2.788	9	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(O)	118.1990	1.357	7	118.7616	2.788	9	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CNO)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CNO)(O)	117.8260	0.000	1	117.8260	0.000	1	117.7808	3.394	34	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(NCC)(O)	114.7430	0.000	1	114.7430	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(NCH)(O)	117.2790	0.010	2	117.2790	0.000	2	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(OC[6a])(NCC)(O)	117.4420	0.000	1	117.4420	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,3|C<3>}	C(OC[6a])(NCC)(O)	116.2680	0.000	1	116.2680	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(NCH)(O)	116.5930	0.000	1	116.5930	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,3|C<3>}	C(OC[6a])(NCC)(O)	117.1505	1.515	2	117.1505	2.296	2	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(NCC)(O)	120.2460	1.612	2	120.2460	2.599	2	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(O)	117.4903	2.782	3	116.9880	4.552	5	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|Si<4>,1|C<3>,1|H<1>}	C(OC[6a])(NCC)(O)	116.2345	0.916	2	116.9880	4.552	5	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(O)	115.8470	0.000	1	115.8470	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCH)(O)	115.8090	0.000	1	115.8090	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(NCH)(O)	116.2750	0.000	1	116.4395	0.054	2	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCH)(O)	116.6040	0.000	1	116.4395	0.054	2	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|B<3>,1|C<3>,1|H<1>}	C(OC[6a])(NCC)(O)	116.0885	0.905	4	117.2549	4.184	8	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(O)	118.4213	2.306	4	117.2549	4.184	8	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(OC[6a])(NCH)(O)	116.7932	1.388	9	116.7932	1.926	9	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCO)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCO)(O)	114.6740	0.000	1	114.6740	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NHN)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NHN)(O)	117.0300	0.000	1	117.0300	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|H<1>,2|C<3>}	C(OC[6a])(NCC)(O)	114.4790	0.000	1	114.4790	0.000	1	116.9034	2.916	39	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OC){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(OC[6a])(NCC)(S)	119.0392	1.359	4	119.0392	1.847	4	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(NCC)(S)	118.7860	0.000	1	119.3640	0.668	2	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(NCC)(S)	119.9420	0.000	1	119.3640	0.668	2	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(NCC)(S)	119.2360	0.000	1	119.2360	0.000	1	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(S)	119.6325	0.279	2	119.6325	0.078	2	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)2(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(S)	118.1870	0.000	1	118.1870	0.000	1	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]F)2(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C(OC[6a])(NCC)(S)	118.2590	0.000	1	118.2590	0.000	1	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(S)	119.8090	1.440	9	119.7642	1.978	11	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(OC[6a])(NCC)(S)	119.5625	1.759	2	119.7642	1.978	11	119.4199	1.474	22	117.7312	3.832	116	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-2:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCI)(CC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCI)(CC)	117.1290	0.000	1	117.1290	0.000	1	118.4360	3.416	2	120.1876	8.769	5	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-2:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CInC)(CC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CInC)(CC)	119.7430	0.000	1	119.7430	0.000	1	118.4360	3.416	2	120.1876	8.769	5	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:N-2:	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NCC)(NTi)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NCC)(NTi)	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	120.1876	8.769	5	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:S-2:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC)	C(OC[6a])(NCC)(SPd)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(NCC)(SPd)	123.0285	2.153	2	123.0285	4.636	2	123.0285	4.636	2	120.1876	8.769	5	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCH)(COO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){3|C<3>}	C(OC[6a])(CCH)(COO)	118.3750	0.000	1	118.3750	0.000	1	116.6036	3.588	7	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C(OC[6a])(CIrC)(COO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CIrC)(COO)	115.0305	1.006	2	115.0305	1.012	2	116.6036	3.588	7	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	C(OC[6a])(CRhC)(COO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CRhC)(COO)	116.0655	2.883	2	116.0655	8.311	2	116.6036	3.588	7	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C(OC[6a])(CCH)(COO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCH)(COO)	117.3110	0.000	1	117.3110	0.000	1	116.6036	3.588	7	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCC)(CCH)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCC)(CCH)	118.3470	0.000	1	118.3470	0.000	1	116.6036	3.588	7	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:N-3:	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCC)(NCS)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCC)(NCS)	113.1060	1.185	2	113.1060	1.404	2	113.1060	1.404	2	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:C-3:	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NFeO)(CNO)	O(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NFeO)(CNO)	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-3:P-3:	O(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(NAlH)(PCC)	O(C[6a]C[6a]2)(CNP)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(NAlH)(PCC)	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	116.2495	5.631	11	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:3:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:C-4:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CZnH)(CC3)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CZnH)(CC3)	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<5>,2|C<4>,2|H<1>}	C(OC[6a])(CH3)(O)	117.6710	0.000	1	117.9740	4.655	6	117.9740	4.655	6	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C(OC[6a])(CH3)(O)	119.2827	2.396	3	117.9740	4.655	6	117.9740	4.655	6	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6,6a]C[6a])(CCO)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C(OC[6a])(CH3)(O)	116.1625	0.053	2	117.9740	4.655	6	117.9740	4.655	6	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|C<4>}	C(OC[6a])(CH3)(O)	119.0650	0.000	1	119.0650	0.000	1	118.6858	2.074	5	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OC){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(OC[6a])(CCHH)(O)	120.7810	0.000	1	120.7810	0.000	1	118.6858	2.074	5	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(OC[6a])(CH3)(O)	117.7140	0.000	1	117.3645	0.244	2	118.6858	2.074	5	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(OC[6a])(CH3)(O)	117.0150	0.000	1	117.3645	0.244	2	118.6858	2.074	5	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5,6a]C[6a])(CCO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C(OC[6a])(CH3)(O)	118.8540	0.000	1	118.8540	0.000	1	118.6858	2.074	5	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C(OC[6a])(CH3)(O)	116.2270	0.000	1	116.2270	0.000	1	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OC){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C(OC[6a])(CCHH)(O)	120.9100	0.000	1	120.9100	0.000	1	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(OC[6a])(CH3)(O)	117.4985	0.429	2	116.8782	0.523	5	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C(OC[6a])(CH3)(O)	117.0110	0.000	1	116.8782	0.523	5	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C(OC[6a])(CH3)(O)	116.1915	0.421	2	116.8782	0.523	5	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(OC){4|C<3>}	C(OC[6a])(CH3)(O)	116.2970	0.000	1	116.2970	0.000	1	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[5a,6a]C[6a])(CCO)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OC){1|N<2>,1|S<2>,2|C<3>}	C(OC[6a])(CH3)(O)	116.6980	0.000	1	116.6980	0.000	1	117.1692	2.297	9	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CC3)(O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C(OC[6a])(CC3)(O)	116.6980	0.000	1	116.6980	0.000	1	117.1680	0.496	4	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	C(OC[6a])(CH3)(O)	117.9260	0.000	1	117.3247	0.596	3	117.1680	0.496	4	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(OC[6a])(CH3)(O)	116.4540	0.000	1	117.3247	0.596	3	117.1680	0.496	4	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6,6a]C[6a])(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	C(OC[6a])(CH3)(O)	117.5940	0.000	1	117.3247	0.596	3	117.1680	0.496	4	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C(OC[6a])(CH3)(O)	117.7710	0.000	1	117.7710	0.000	1	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(OC[6a])(CH3)(O)	117.9100	0.000	1	117.9100	0.000	1	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C(OC[6a])(CH3)(O)	118.5470	0.000	1	117.2132	1.404	5	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(OC[6a])(CH3)(O)	116.0050	0.000	1	117.2132	1.404	5	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(OC[6a])(CH3)(O)	116.1320	0.000	1	117.2132	1.404	5	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C(OC[6a])(CH3)(O)	117.6910	0.867	2	117.2132	1.404	5	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6,6a]C[6a])(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C(OC[6a])(CH3)(O)	117.7020	0.000	1	117.7020	0.000	1	117.4311	0.896	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHO)(H)	O(C[6a]C[6a,6a]C[6a])(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CCHO)(H)	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CH3)(O)	118.8060	0.000	1	118.8060	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(CH3)(O)	121.6310	0.000	1	121.6310	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	116.9510	0.000	1	116.9510	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(CH3)(O)	118.8310	0.000	1	118.8310	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(OC[6a])(CCCH)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CCCH)(O)	118.0030	0.000	1	118.0030	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){1|H<1>,1|N<2>,3|C<3>}	C(OC[6a])(CH3)(O)	120.3250	0.000	1	120.3250	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CCHH)(O)	121.3940	0.000	1	121.3940	0.000	1	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(CH3)(O)	120.8190	0.000	1	118.0992	2.579	5	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	117.8300	0.000	1	118.0992	2.579	5	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|O<1>,2|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	117.2823	0.649	3	118.0992	2.579	5	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a,6a]C[6a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C(OC[6a])(CH3)(O)	117.1332	0.390	9	117.1332	0.152	9	118.1255	2.528	21	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCHH)(H)	126.5220	0.000	1	126.5220	0.000	1	117.9456	12.502	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC)	C(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCHH)(H)	118.0140	0.000	1	118.0140	0.000	1	117.9456	12.502	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHN)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHN)(H)	116.5250	0.000	1	116.5250	0.000	1	117.9456	12.502	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHO)(H)	116.6630	0.000	1	116.6630	0.000	1	117.9456	12.502	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHO)(H)	115.9940	0.000	2	115.9940	0.000	2	117.9456	12.502	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){3|C<3>}	C(OC[6a])(CCHH)(H)	116.9265	0.774	2	116.9265	0.600	2	117.9456	12.502	8	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CCHH)(O)	116.6080	1.038	2	116.6080	1.078	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	118.0385	0.356	2	118.0385	0.127	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C(OC[6a])(CH3)(O)	116.9470	1.585	2	116.9470	2.513	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(CH3)(O)	117.8830	0.000	1	117.8037	0.224	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	118.2320	0.000	1	117.8037	0.224	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	117.2960	0.000	1	117.8037	0.224	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CCCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	C(OC[6a])(CCCH)(O)	122.7360	0.000	1	122.3410	0.285	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CCCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CCCH)(O)	122.2093	0.569	3	122.3410	0.285	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(OC[6a])(CH3)(O)	117.8600	0.000	1	116.4775	3.823	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C(OC[6a])(CH3)(O)	115.0950	0.000	1	116.4775	3.823	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	115.9510	0.000	1	115.9510	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	118.1160	0.000	1	118.1160	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	120.9105	0.493	2	119.5822	5.108	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	118.3130	2.794	3	119.5822	5.108	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	120.7330	0.000	1	119.5822	5.108	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>}	C(OC[6a])(CH3)(O)	119.3320	0.000	1	119.3320	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OC){1|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	117.4920	0.000	1	117.4920	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	116.7615	1.486	2	116.7615	2.207	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCHH)(O)	120.8980	0.000	1	120.8980	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	116.9710	0.460	3	117.3498	0.715	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	118.4860	0.000	1	117.3498	0.715	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC)	C(OC[6a])(CCHO)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OC){1|F<1>,4|C<3>}	C(OC[6a])(CCHO)(O)	116.9130	0.635	2	116.9130	0.403	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(OC[6a])(CH3)(O)	116.6405	1.378	2	116.6405	1.899	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OC){1|H<1>,4|C<3>}	C(OC[6a])(CCHH)(O)	117.3110	0.000	1	117.3110	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC){1|H<1>,1|N<2>,3|C<3>}	C(OC[6a])(CH3)(O)	118.1570	0.000	1	118.1570	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	118.2840	0.000	1	118.2840	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CBrCC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CBrCC)(O)	117.3080	0.000	1	117.3080	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHO)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCHO)(O)	118.3227	1.994	4	118.3227	3.974	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	119.1987	1.391	3	118.4263	1.196	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	119.0850	0.000	1	118.4263	1.196	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	117.8312	0.652	5	118.4263	1.196	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC){2|C<3>}	C(OC[6a])(CCHH)(O)	115.4150	0.000	1	115.4150	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	116.7985	0.303	2	116.7985	0.092	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	121.3230	0.000	1	121.3230	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CCCH)(O)	119.8090	0.000	1	119.8090	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CCHH)(O)	119.7360	0.000	1	119.7360	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C(OC[6a])(CH3)(O)	118.2300	0.000	1	117.4718	0.709	5	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	117.1775	0.111	2	117.4718	0.709	5	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CH3)(O)	117.3870	1.435	2	117.4718	0.709	5	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C(OC[6a])(CC3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CC3)(O)	117.0085	0.087	2	117.0085	0.008	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHH)(O)	122.0190	4.255	2	122.0190	18.108	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,1|H<1>}	C(OC[6a])(CH3)(O)	117.0955	1.054	2	117.3908	0.772	70	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	118.0021	0.801	8	117.3908	0.772	70	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|F<1>,1|H<1>}	C(OC[6a])(CH3)(O)	116.3110	0.865	2	117.3908	0.772	70	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	117.7147	0.660	4	117.3908	0.772	70	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	117.2636	0.848	50	117.3908	0.772	70	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	118.1213	0.703	4	117.3908	0.772	70	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CHHS)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHS)(O)	120.4150	0.000	1	120.4150	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	117.6170	0.696	2	117.6170	0.484	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	116.5590	0.000	1	116.9612	0.344	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(CH3)(O)	117.8720	0.000	1	116.9612	0.344	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>}	C(OC[6a])(CH3)(O)	116.9760	0.000	1	116.9612	0.344	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	116.7867	0.564	3	116.9612	0.344	6	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHH)(O)	115.4970	0.000	1	115.4970	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C(OC[6a])(CH3)(O)	118.3650	0.000	1	117.8859	0.365	7	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	117.8060	0.620	6	117.8859	0.365	7	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(OC[6a])(CH3)(O)	118.3885	0.364	2	116.9326	1.662	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(OC[6a])(CH3)(O)	116.6760	1.148	4	116.9326	1.662	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C(OC[6a])(CH3)(O)	117.0655	0.204	2	116.9326	1.662	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C(OC[6a])(CH3)(O)	114.7810	0.000	1	116.9326	1.662	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	C(OC[6a])(CH3)(O)	119.7740	0.000	1	119.7740	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC)	C(OC[6a])(CCCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCCH)(O)	118.1240	0.423	2	118.1240	0.179	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	119.1500	0.000	1	119.1500	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C(OC[6a])(CCHH)(O)	115.7120	0.427	2	115.7120	0.182	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	118.4180	0.000	1	118.4180	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CCHH)(O)	118.7950	2.212	2	118.1297	3.774	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C(OC[6a])(CCHH)(O)	116.7990	0.000	1	118.1297	3.774	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,1|H<1>,1|N<2>}	C(OC[6a])(CH3)(O)	116.5990	0.000	1	120.9795	38.378	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	125.3600	0.000	1	120.9795	38.378	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CCHH)(O)	120.6393	2.265	3	120.6393	5.129	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CCHN)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CCHN)(O)	116.8310	0.383	2	116.8310	0.147	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	116.8310	0.000	1	117.4069	1.112	29	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C(OC[6a])(CH3)(O)	118.5295	2.425	2	117.4069	1.112	29	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(CH3)(O)	117.2095	0.660	2	117.4069	1.112	29	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	117.2858	0.942	14	117.4069	1.112	29	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	117.1730	0.035	2	117.4069	1.112	29	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C(OC[6a])(CH3)(O)	117.5181	1.192	8	117.4069	1.112	29	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(OC[6a])(CHHN)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHN)(O)	117.5010	0.000	1	117.5010	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	118.2415	0.015	2	118.2415	0.000	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CBrCC)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CBrCC)(O)	118.4690	0.000	1	118.4690	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CC3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CC3)(O)	121.7640	0.000	1	119.4868	2.363	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CC3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(OC[6a])(CC3)(O)	118.7277	0.295	3	119.4868	2.363	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCCH)(O)	117.7340	0.000	1	117.7340	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CCHH)(O)	118.5950	0.000	1	118.9697	1.570	10	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C(OC[6a])(CCHH)(O)	117.4670	0.000	1	118.9697	1.570	10	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHH)(O)	119.1759	1.369	7	118.9697	1.570	10	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|Re<6>,1|C<3>,1|H<1>}	C(OC[6a])(CCHH)(O)	119.4040	0.000	1	118.9697	1.570	10	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHN)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CCHN)(O)	118.8470	0.000	1	118.8470	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHO)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHO)(O)	118.0625	1.244	2	118.0625	1.547	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CF3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CF3)(O)	126.0580	0.000	1	126.0580	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|O<2>}	C(OC[6a])(CH3)(O)	117.3040	2.130	2	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(OC[6a])(CH3)(O)	117.7234	1.632	5	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|O<2>}	C(OC[6a])(CH3)(O)	117.4320	0.000	1	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(OC[6a])(CH3)(O)	119.4385	1.677	2	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	118.1515	1.850	57	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(OC[6a])(CH3)(O)	118.7572	0.675	5	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|C<4>}	C(OC[6a])(CH3)(O)	116.7590	0.000	1	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	117.2693	0.281	3	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|O<2>,2|C<3>}	C(OC[6a])(CH3)(O)	117.8250	1.124	2	118.1047	2.926	78	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CHHO)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHO)(O)	117.3253	0.866	3	117.3253	0.750	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CNiCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CNiCH)(O)	115.1960	4.465	3	115.1960	19.933	3	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CPdCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CPdCH)(O)	118.1495	0.632	4	118.1495	0.400	4	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CPtCH)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CPtCH)(O)	117.7967	1.363	9	117.7967	1.856	9	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Mn)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	117.2010	0.000	1	117.2010	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CH3)(O)	117.3250	0.907	2	117.3250	0.822	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	C(OC[6a])(CH3)(O)	119.1150	0.000	1	119.1150	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(OC[6a])(CH3)(O)	118.4580	0.000	1	118.4580	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C(OC[6a])(CH3)(O)	115.8100	0.267	2	115.8100	0.071	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC)	C(OC[6a])(CC3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CC3)(O)	116.7130	0.000	1	116.7130	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CH3)(O)	117.1076	1.275	7	117.2310	1.515	8	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O)2(OC){1|H<1>,2|C<3>}	C(OC[6a])(CH3)(O)	118.0950	0.000	1	117.2310	1.515	8	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC)	C(OC[6a])(CH3)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OC){4|C<3>}	C(OC[6a])(CH3)(O)	116.4650	0.000	1	116.4650	0.000	1	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]S)2(OC)	C(OC[6a])(CHHO)(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHO)(O)	117.3735	0.306	2	117.3735	0.094	2	117.8839	2.879	349	117.8831	2.967	411	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(OC[6a])(CHHN)(CHH)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CHHN)(CHH)	122.0173	1.149	3	122.0173	1.320	3	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(OC[6a])(CCHH)(CCH)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHH)(CCH)	115.4700	0.000	1	115.4700	0.000	1	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CC3)(CCF)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CC3)(CCF)	117.9500	0.000	1	117.9500	0.000	1	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CC3)(CCI)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CC3)(CCI)	119.4360	0.000	1	119.4360	0.000	1	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCCH)(CInC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCCH)(CInC)	119.5470	0.000	1	119.5470	0.000	1	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCFF)(CCH)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCFF)(CCH)	120.7480	0.729	4	120.7480	0.531	4	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	2:4:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(OC[6a])(CCHP)(CHH)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(OC[6a])(CCHP)(CHH)	118.4000	0.000	1	118.4000	0.000	1	119.9873	4.226	12	119.9873	4.226	12	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	112.8350	0.000	1	112.8350	0.000	1	116.1244	2.741	8	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	116.1505	1.695	2	116.1505	2.873	2	116.1244	2.741	8	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.0110	0.000	1	118.0110	0.000	1	116.1244	2.741	8	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.9395	0.592	2	116.7307	0.306	3	116.1244	2.741	8	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.3130	0.000	1	116.7307	0.306	3	116.1244	2.741	8	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[5,6a]C[6a])(CC[6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.6560	0.000	1	115.6560	0.000	1	116.1244	2.741	8	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6,6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.4540	0.000	1	118.4540	0.000	1	118.0502	4.551	4	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.8290	0.000	1	116.8290	0.000	1	118.0502	4.551	4	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.0440	0.000	1	116.0440	0.000	1	118.0502	4.551	4	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6,6a]C[6a])(CC[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	120.8740	0.000	1	120.8740	0.000	1	118.0502	4.551	4	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[5a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(OC[6a])(O)	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6]C[6]2)(OC[6a])(O)	117.7307	0.859	6	117.7307	0.737	6	117.7307	0.737	6	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	113.4230	0.000	1	113.4230	0.000	1	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.6430	0.000	1	116.6430	0.000	1	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.2862	2.514	4	117.6426	3.325	8	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.1220	0.000	1	117.6426	3.325	8	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.0830	0.943	2	117.6426	3.325	8	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7080	0.000	1	117.6426	3.325	8	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	116.4470	0.000	1	116.4470	0.000	1	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(OC){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.8360	0.000	1	118.8360	0.000	1	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.0609	0.747	7	116.0609	0.559	7	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(OC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	130.3400	0.000	1	130.3400	0.000	1	117.4628	11.915	20	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CNO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	C(NC[6a]H)(OC[6a])(O)	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	B[5a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CB[5a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(B[5a]N[5a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CB[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(B[5a]N[5a]2)(OC[6a])(O)	119.3850	0.000	2	119.3850	0.000	2	119.3850	0.000	2	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(CC[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(CC[6]H)(OC[6a])(H)	116.9630	0.000	1	116.9630	0.000	1	122.3971	11.852	7	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(H)	124.9665	0.076	2	124.9665	0.006	2	122.3971	11.852	7	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(CB[5]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(CB[5]C)(OC[6a])(H)	117.8860	0.000	1	117.8860	0.000	1	122.3971	11.852	7	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|F<1>}	C(CC[6a]C)(OC[6a])(H)	124.4550	0.000	1	123.9993	0.161	3	122.3971	11.852	7	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(H)	123.8430	0.000	1	123.9993	0.161	3	122.3971	11.852	7	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:H-1:	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(CC[6a]C)(OC[6a])(H)	123.7000	0.000	1	123.9993	0.161	3	122.3971	11.852	7	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(OC)	C(CC[4]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Br)2(OC){2|Br<1>,1|C<3>}	C(CC[4]H)(OC[6a])(O)	115.9690	0.000	1	115.9690	0.000	1	115.9757	0.076	3	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC)	C(CC[6]C)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C(CC[6]C)(OC[6a])(O)	115.7040	0.000	1	115.7040	0.000	1	115.9757	0.076	3	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(CC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(CC[6]H)(OC[6a])(O)	116.2540	0.000	1	116.2540	0.000	1	115.9757	0.076	3	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[4]-3:O-2:H-1:	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[4]C[4]N[4])(OC[6a])(H)	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[4]C[4]N[4])(OC[6a])(H)	117.6800	0.000	1	117.6800	0.000	1	118.2345	0.615	2	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[4]-3:O-2:H-1:	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]H)2(OC)	C(C[4]C[4]N[4])(OC[6a])(H)	O(C[6a]C[6a]2)(CC[4]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[4]C[4]N[4])(OC[6a])(H)	118.7890	0.000	1	118.7890	0.000	1	118.2345	0.615	2	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[4]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[4]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[4]C[4]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[4]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[4]C[4]2)(OC[6a])(O)	117.1420	0.000	1	117.1420	0.000	1	117.1420	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[5]C[5]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(OC[6a])(O)	121.0920	0.000	1	121.0920	0.000	1	117.7242	5.766	6	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(OC[6a])(O)	118.3660	1.947	2	117.0506	3.805	5	117.7242	5.766	6	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(OC[6a])(O)	116.1737	1.682	3	117.0506	3.805	5	117.7242	5.766	6	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(OC[6a])(O)	117.4800	0.000	1	117.4800	0.000	1	117.8630	1.684	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5a]C[5a,6a]C[5a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(OC[6a])(O)	117.3650	1.078	3	117.3650	1.161	3	117.8630	1.684	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5a]C[5a]O[5a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(OC[6a])(O)	119.7400	0.000	1	119.7400	0.000	1	117.8630	1.684	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:H-1:	O(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6]2)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(H)	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	116.5620	0.706	2	116.5620	0.498	2	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC[6a])(O)	120.0210	0.000	1	120.0210	0.000	1	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6]C[6]N[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC[6a])(O)	119.7490	0.294	2	119.7490	0.087	2	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	117.1030	0.000	1	117.1030	0.000	1	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	119.9170	0.000	1	118.4570	1.326	5	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	118.0920	0.938	4	118.4570	1.326	5	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	118.6330	0.000	1	118.6330	0.000	1	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	121.5037	0.322	3	119.1292	11.260	5	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	115.5675	1.596	2	119.1292	11.260	5	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	116.3320	0.000	1	116.7573	0.263	7	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	116.8282	0.523	6	116.7573	0.263	7	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	118.6701	0.790	12	118.8567	1.346	15	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(C[6]C[6]2)(OC[6a])(O)	119.6033	2.224	3	118.8567	1.346	15	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6]N[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC[6a])(O)	119.8430	0.000	1	119.8430	0.000	1	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]O)2(OC)	C(C[6]C[6,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]2)(OC[6a])(O)	115.6170	0.000	1	115.6170	0.000	1	118.3396	3.012	41	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:H-1:	O(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(OC){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(H)	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7770	0.000	1	117.4535	0.915	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.1300	0.000	1	117.4535	0.915	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	124.9270	0.000	1	124.9270	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.3380	0.000	1	118.1910	6.867	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6a])(O)	120.0440	0.000	1	118.1910	6.867	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.9600	0.000	1	118.9600	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	125.9820	0.000	1	125.9820	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.1190	1.109	5	117.3524	0.882	8	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.7413	0.515	3	117.3524	0.882	8	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.6540	0.000	1	116.6540	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.1020	0.000	1	116.1020	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.0396	1.817	5	117.9042	15.282	9	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	120.0630	6.572	2	117.9042	15.282	9	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7580	0.000	1	117.9042	15.282	9	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	124.0560	0.000	1	117.9042	15.282	9	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.4098	1.395	5	118.4098	1.946	5	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.2440	0.000	1	117.2440	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.6522	1.258	6	115.6522	1.582	6	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	120.5208	1.628	5	119.0204	6.988	11	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.7700	2.780	6	119.0204	6.988	11	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	117.7480	0.000	1	116.5815	2.721	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	115.4150	0.000	1	116.5815	2.721	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7567	1.305	4	116.7567	1.704	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC){2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.9177	1.834	4	116.9177	3.364	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.9970	0.957	2	118.1035	0.433	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.8000	0.000	1	118.1035	0.433	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.6200	0.000	1	118.1035	0.433	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OC){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7430	0.665	2	116.7430	0.442	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Br)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	116.1120	0.000	1	116.1120	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	119.6940	0.000	1	118.6810	1.094	3	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	118.1745	0.805	2	118.6810	1.094	3	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	117.5390	0.000	1	117.5390	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.3732	1.371	4	117.1580	2.352	37	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.8520	0.000	1	117.1580	2.352	37	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.1641	1.628	30	117.1580	2.352	37	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.2410	0.000	1	117.1580	2.352	37	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.3390	0.000	1	117.1580	2.352	37	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	116.2960	0.000	1	116.2960	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.3100	0.000	1	118.3100	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	122.6360	0.000	1	122.6360	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	116.4290	0.000	1	116.4290	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.3350	0.000	1	118.1970	1.486	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	119.0590	0.000	1	118.1970	1.486	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.4998	0.951	4	117.0920	1.081	8	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.2270	0.723	2	117.0920	1.081	8	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7250	0.000	1	117.0920	1.081	8	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.5580	0.000	1	117.0920	1.081	8	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.8653	0.494	3	118.8695	0.163	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.8820	0.000	1	118.8695	0.163	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	118.1410	0.000	1	118.1410	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7050	0.467	3	116.7050	0.218	3	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|Br<1>,1|C<3>,1|F<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.6040	0.000	1	117.2575	5.468	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.9110	0.000	1	117.2575	5.468	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	116.7570	0.000	1	116.7570	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	116.9700	1.305	2	116.9700	1.704	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.8747	1.816	12	117.9182	3.049	13	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.4410	0.000	1	117.9182	3.049	13	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.2513	1.543	12	117.2495	7.699	23	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.7862	2.655	9	117.2495	7.699	23	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.9900	0.000	1	117.2495	7.699	23	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	125.6560	0.000	1	117.2495	7.699	23	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.9035	0.762	2	116.9035	0.580	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC){1|C<3>,1|H<1>,1|S<3>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	116.2790	1.716	4	116.2790	2.946	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.5680	0.727	2	116.5680	0.528	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	118.4110	0.000	1	118.4110	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	119.9050	4.509	2	119.9050	20.327	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(OC[6a])(O)	118.7760	0.000	1	118.7760	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	119.2610	2.583	6	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.3400	1.380	2	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.5320	0.000	1	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.8640	1.884	2	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.2037	1.446	110	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.2865	2.406	2	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.6493	1.051	3	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.6894	2.102	5	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	120.3460	0.000	1	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.5780	0.000	1	118.2241	2.410	133	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	117.2975	1.394	2	118.0620	2.507	7	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]N[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(OC[6a])(O)	118.3678	1.693	5	118.0620	2.507	7	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]I)2(OC)	C(C[6a]C[6a,6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]I)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(OC[6a])(O)	118.0130	0.000	1	118.0130	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(OC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.6880	1.721	2	117.6880	2.962	2	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.5958	0.946	5	116.5958	0.894	5	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.8540	0.075	2	118.3512	1.796	5	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.6440	1.993	2	118.3512	1.796	5	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(OC[6a])(O)	116.7600	0.000	1	118.3512	1.796	5	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.6030	0.000	1	115.6030	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(OC){1|Cl<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(O)	115.7080	0.000	1	115.7080	0.000	1	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	117.4693	0.432	3	117.4693	0.187	3	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]S)2(OC)	C(C[6a]C[6a]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]S)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(O)	118.0750	1.823	4	118.0750	3.323	4	117.8298	3.678	344	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	119.2260	0.000	1	119.2260	0.000	1	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C(NC[6a]H)(OC[6a])(O)	118.2445	0.612	4	118.2445	0.374	4	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C(NC[6a]H)(OC[6a])(O)	115.0903	0.654	3	115.0903	0.428	3	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	114.6490	0.000	1	114.6490	0.000	1	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[5a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(NC[5a]H)(OC[6a])(O)	117.4870	0.000	1	117.4870	0.000	1	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(NC[6]H)(OC[6a])(O)	117.3210	0.000	1	117.7538	1.140	13	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(NC[6]H)(OC[6a])(O)	117.7899	1.107	12	117.7538	1.140	13	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	117.8855	0.210	2	118.1445	1.971	31	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	119.1640	0.000	1	118.1445	1.971	31	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(OC[6a])(O)	116.9545	1.225	2	118.1445	1.971	31	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	118.1948	1.488	25	118.1445	1.971	31	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(OC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	118.7670	0.000	1	118.1445	1.971	31	117.8313	2.138	54	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(NC[6a]C)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(NC[6a]C)(OC[6a])(S)	119.0500	0.000	1	119.0500	0.000	1	119.4516	0.758	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:S-1:	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC)	C(NC[6a]2)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(NC[6a]2)(OC[6a])(S)	119.5520	0.971	4	119.5520	0.944	4	119.4516	0.758	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[5,6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[5,6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[5,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[5]C[5,6]C[5])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(OC[6a])(O)	116.0463	0.674	3	116.0463	0.454	3	116.2676	0.333	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[5]C[5]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CN[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(OC[6a])(O)	116.5995	0.241	2	116.5995	0.058	2	116.2676	0.333	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[5a]C[5a,6a]C[5a])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(OC[6a])(O)	118.1040	0.000	1	118.1040	0.000	1	116.5955	1.013	4	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[5a]C[5a]N[5a])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[5a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(OC[6a])(O)	116.0927	0.042	3	116.0927	0.002	3	116.5955	1.013	4	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:O-2:S-1:	O(C[6a]C[6a]2)(CN[5a]S)	C[6a](C[6a]C[6a]H)2(OC)	C(N[5a]C[5a,6a]N[5a])(OC[6a])(S)	O(C[6a]C[6a]2)(CN[5a]S)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(OC[6a])(S)	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6,6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6,6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6,6]C[3x6]C[6,6])(OC[6a])(O)	117.2103	1.226	3	117.2103	1.502	3	117.7054	2.011	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6,6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6,6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6,6]C[5,3x6]C[6,6])(OC[6a])(O)	118.4480	1.789	2	118.4480	3.200	2	117.7054	2.011	5	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6]C[3,4,6]C[6])(OC[6a])(O)	115.3950	0.000	1	115.3950	0.000	1	117.7016	6.271	14	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6]C[4,6,6]C[6])(OC[6a])(O)	116.4765	1.104	2	116.4765	1.218	2	117.7016	6.271	14	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6]C[4,6]C[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6]C[4,6]C[6])(OC[6a])(O)	117.9340	0.000	1	117.9340	0.000	1	117.7016	6.271	14	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6]C[6,6a]C[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(OC[6a])(O)	116.3990	0.000	1	116.3990	0.000	1	117.7016	6.271	14	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6]C[6]2)(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(OC[6a])(O)	118.3414	3.273	7	118.3414	10.712	7	117.7016	6.271	14	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(N[6]C[6]N[6])(OC[6a])(O)	O(C[6a]C[6a]2)(CN[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(OC[6a])(O)	118.3760	1.481	2	118.3760	2.192	2	117.7016	6.271	14	117.8832	4.082	543	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:C-2:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]C)(OC[6a])(CC)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(CC)	114.6210	0.000	1	114.6210	0.000	1	116.3920	6.273	2	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:C-2:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]C)(OC[6a])(CN)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(CN)	118.1630	0.000	1	118.1630	0.000	1	116.3920	6.273	2	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-2:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(CC[6a]H)(OC[6a])2	111.7060	0.000	1	113.3720	5.551	2	116.1648	7.194	6	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-2:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC)	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C(CC[6a]H)(OC[6a])2	115.0380	0.000	1	113.3720	5.551	2	116.1648	7.194	6	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-2:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]H)(OC[6a])2	116.9493	1.124	3	117.5613	2.340	4	116.1648	7.194	6	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-2:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]H)(OC[6a])2	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|O<2>}	C(CC[6a]H)(OC[6a])2	119.3970	0.000	1	117.5613	2.340	4	116.1648	7.194	6	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:O-2:	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	116.9350	0.000	1	116.9350	0.000	1	117.5405	0.733	2	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-2:O-2:	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]Cl)2(OC)	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]Cl)2(OC){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	118.1460	0.000	1	118.1460	0.000	1	117.5405	0.733	2	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:N-2:	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(NN[6])	O(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(NN[6])	120.8910	0.000	1	120.8910	0.000	1	120.8910	0.000	1	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(ORh)	O(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(ORh)	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:N-2:	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(OC)	C(NC[6a]H)(OC[6a])(NC)	O(C[6a]C[6a]2)(CNN)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(NC)	120.1590	0.000	1	120.1590	0.000	1	120.1590	0.000	1	117.0387	6.296	13	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:C-3:	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a,6a]C[6a])(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(OC[6a])(CCH)	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(CC[6a]H)(OC[6a])(COO)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>}	C(CC[6a]H)(OC[6a])(COO)	117.6650	0.000	1	117.6650	0.000	1	117.6650	0.000	1	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:O-2:C-3:	O(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	O(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	117.9352	0.327	6	117.9352	0.107	6	117.9352	0.107	6	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:C-3:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	113.7460	0.000	1	113.7460	0.000	1	115.9109	18.392	7	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:C-3:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(CNN)	111.6960	0.000	1	111.6960	0.000	1	115.9109	18.392	7	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:C-3:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(CCH)	109.2030	0.000	1	109.2030	0.000	1	115.9109	18.392	7	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:C-3:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(OC[6a])(CCH)	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(OC[6a])(CCH)	119.1827	0.170	4	119.1827	0.029	4	115.9109	18.392	7	117.0666	9.309	15	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:C-4:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(CC[6a]C[5])(OC[6a])(CH3)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C(CC[6a]C[5])(OC[6a])(CH3)	114.6000	0.000	1	114.6000	0.000	1	116.9020	10.598	2	116.9020	10.598	2	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:2:4:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:C-4:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]P[6])(OC[6a])(CH3)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]P[6])(OC[6a])(CH3)	119.2040	0.000	1	119.2040	0.000	1	116.9020	10.598	2	116.9020	10.598	2	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	O(C[6a]C[5a,6a]C[6a])(CC[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OC){1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	126.5560	0.000	1	126.5560	0.000	1	126.5560	0.000	1	118.7585	32.350	4	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	112.9070	0.000	1	112.9070	0.000	1	116.1593	7.991	3	118.7585	32.350	4	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	118.0260	0.000	1	118.0260	0.000	1	116.1593	7.991	3	118.7585	32.350	4	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	117.5450	0.000	1	117.5450	0.000	1	116.1593	7.991	3	118.7585	32.350	4	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[4,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	116.2610	0.000	1	117.9475	5.689	2	117.9475	5.689	2	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[4,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	119.6340	0.000	1	117.9475	5.689	2	117.9475	5.689	2	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[5,5,6]C[5,5]C[5,6]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(OC[6a])(O)	115.4830	0.000	1	115.4830	0.000	1	118.4526	4.184	5	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	119.1950	1.380	4	119.1950	1.904	4	118.4526	4.184	5	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC)	C(C[5]C[6a]C[5]2)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(OC){1|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(OC[6a])(O)	116.8630	0.000	1	116.8630	0.000	1	116.7973	1.310	4	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(OC){1|H<1>,4|C<3>}	C(C[5]C[5]2Fe)(OC[6a])(O)	117.3680	1.348	2	117.3680	1.816	2	116.7973	1.310	4	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CC[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(OC[6a])(O)	115.5900	0.000	1	115.5900	0.000	1	116.7973	1.310	4	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	B-4:O-2:O-1:	O(C[6a]C[6a]2)(CBO)	C[6a](C[6a]C[6a]H)2(OC)	C(BN[3x6]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CBO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(BN[3x6]HH)(OC[6a])(O)	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(CC[5a]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(CC[5a]HH)(OC[6a])(O)	117.5450	0.755	2	117.5450	0.570	2	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC)	C(CC[6a]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC){1|N<3>,2|C<3>}	C(CC[6a]HH)(OC[6a])(O)	119.6860	0.000	1	119.6860	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(CC[5,6]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(CC[5,6]HH)(OC[6a])(O)	118.6500	0.000	1	118.6500	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC)	C(CC[6]CH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(CC[6]CH)(OC[6a])(O)	118.6030	0.000	1	118.6030	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC)	C(CC[6a]HO)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	C(CC[6a]HO)(OC[6a])(O)	117.0875	0.951	4	117.0875	0.905	4	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC)	C(CC[6a]BH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]Cl)2(OC){1|C<3>,2|H<1>}	C(CC[6a]BH)(OC[6a])(O)	116.6340	0.000	1	116.6340	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC)	C(CC[6a]2H)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(CC[6a]2H)(OC[6a])(O)	118.5580	0.000	1	118.5580	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[5]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[5]HH)(OC[6a])(O)	116.5830	0.000	1	116.5830	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[5]HO)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[5]HO)(OC[6a])(O)	118.5045	0.489	2	118.5045	0.239	2	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6]HH)(OC[6a])(O)	116.7415	3.036	2	116.7415	9.215	2	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]CH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]CH)(OC[6a])(O)	118.2120	0.000	1	118.2120	0.000	1	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC)	C(CC[6a]HH)(OC[6a])(O)	O(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C(CC[6a]HH)(OC[6a])(O)	118.2240	0.462	2	118.2240	0.214	2	117.7529	1.510	19	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[3,3,5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[3,3,5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[3,3,5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[3,3,5]C[3,3,5]2Nb[10x3])(OC[6a])(O)	118.0705	0.629	2	118.0705	0.395	2	118.0705	0.395	2	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[3]C[3]2H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(C[3]C[3]2H)(OC[6a])(O)	114.7400	0.000	1	114.7400	0.000	1	117.0887	9.097	3	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC)	C(C[3]C[3]N[3]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(OC){1|C<3>,2|H<1>}	C(C[3]C[3]N[3]H)(OC[6a])(O)	116.0360	0.000	1	116.0360	0.000	1	117.0887	9.097	3	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[3]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[3]C[3]2H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[3]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(OC[6a])(O)	120.4900	0.000	1	120.4900	0.000	1	117.0887	9.097	3	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[3x6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC)	C(C[3x6]C[6,6]3)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[3x6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C(C[3x6]C[6,6]3)(OC[6a])(O)	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[4]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[4]O)	C[6a](C[6a]C[6a]2)2(OC)	C(C[4]C[4]2H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[4]O)	C[6a](C[6a]C[6a]2)2(OC){2|H<1>,5|C<3>}	C(C[4]C[4]2H)(OC[6a])(O)	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	116.5180	0.000	1	116.5180	0.000	1	117.2640	1.865	5	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	118.6045	0.121	2	118.6045	0.015	2	117.2640	1.865	5	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	115.4530	0.000	1	115.4530	0.000	1	117.2640	1.865	5	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5,5,6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OC[6a])(O)	117.1400	0.000	1	117.1400	0.000	1	117.2640	1.865	5	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(OC[6a])(O)	115.7730	0.000	1	115.7730	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2Fe)(OC[6a])(O)	117.5360	0.000	1	117.5360	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)2(OC)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(OC[6a])(O)	115.8230	0.008	2	115.8230	0.000	2	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)2(OC)	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]C)2(OC){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	117.7300	0.000	1	117.7300	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]F)2(OC)	C(C[5]C[5]2O)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]F)2(OC){1|C<3>,2|F<1>}	C(C[5]C[5]2O)(OC[6a])(O)	115.6400	0.000	1	115.6400	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC){1|C<3>,1|H<1>}	C(C[5]C[5]2Fe)(OC[6a])(O)	118.0110	0.865	3	118.0110	0.748	3	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5,6a]C[6a]C[5])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(OC[6a])(O)	118.8700	0.000	1	118.8700	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2C)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(OC[6a])(O)	117.3210	0.000	2	117.3210	0.000	2	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2Fe)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(OC[6a])(O)	118.4380	1.112	3	118.4380	1.236	3	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(OC[6a])(O)	119.8460	0.776	2	119.8460	0.603	2	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2Ru)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(OC[6a])(O)	117.1662	1.846	5	117.1662	3.408	5	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]2V)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]2V)(OC[6a])(O)	117.4700	0.000	1	117.4700	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(OC[6a])(O)	116.5730	0.000	1	115.8925	0.926	2	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[5]N[5]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){2|Cl<1>,1|C<3>}	C(C[5]C[5]N[5]H)(OC[6a])(O)	115.2120	0.000	1	115.8925	0.926	2	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	O(C[6a]C[6a]2)(CC[5]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(OC[6a])(O)	116.4840	0.000	1	116.4840	0.000	1	117.4018	2.165	26	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC)	C(C[6]C[6]2C)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	C(C[6]C[6]2C)(OC[6a])(O)	119.2910	0.000	1	119.2910	0.000	1	118.9193	1.652	6	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6]2C)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(OC[6a])(O)	118.9430	0.000	1	118.9430	0.000	1	118.9193	1.652	6	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:O-2:O-1:	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC)	C(C[6]C[6]2H)(OC[6a])(O)	O(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(OC[6a])(O)	118.8205	1.641	4	118.8205	2.694	4	118.9193	1.652	6	117.7388	2.606	75	117.8392	4.261	1321	117.8392	4.261	1321
893	643	930	0:SP2_SP2_SP2	O	C[6a]	C	3:3:	3:3:2:	4:2:3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:O-2:	C-4:O-2:C-3:	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC)	C(CC[6a]CC)(OC[6a])(CCI)	O(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(OC){1|C<3>,2|H<1>}	C(CC[6a]CC)(OC[6a])(CCI)	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	117.8392	4.261	1321	117.8392	4.261	1321
893	643	931	0:SP2_SP2_SPD5	O	C[6a]	Si[5,5]	5:3:	3:3:2:	3:3:2:2:4:	Si[5,5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	O(Si[5,5]N[5,5]N[5,6]S[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[5,5])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	O(Si[5,5]N[5,5]N[5,6]S[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OSi[5,5]){1|C<3>,2|H<1>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	127.6400	0.000	1	127.6400	0.000	1	127.6400	0.000	1	127.6400	0.000	1	127.6400	0.000	1	127.6400	0.000	1
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:2:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	O-2:C-3:	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON)	N(OC[6a])(CCC)	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(ON){1|C<3>,1|H<1>}	N(OC[6a])(CCC)	111.0645	0.136	2	111.0645	0.019	2	111.0645	0.019	2	111.0645	0.019	2	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:2:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:N[6a]-2:O-2:	C-3:O-2:	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON)	N(CC[5a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(ON){1|Cl<1>,1|H<1>,1|N<2>}	N(CC[5a]H)(OC[6a])	112.6520	0.407	2	112.6520	0.166	2	112.6520	0.166	2	112.6520	0.166	2	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	N(OC[6a])(CCC)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	N(OC[6a])(CCC)	112.5615	0.114	2	112.5615	0.013	2	111.9790	0.648	4	111.9790	0.648	4	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(ON)	N(OC[6a])(CCO)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)2(ON){1|C<3>,2|H<1>}	N(OC[6a])(CCO)	110.8610	0.000	1	110.8610	0.000	1	111.9790	0.648	4	111.9790	0.648	4	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	2:3:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	O-2:C-3:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	N(OC[6a])(CCC)	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	N(OC[6a])(CCC)	111.9320	0.000	1	111.9320	0.000	1	111.9790	0.648	4	111.9790	0.648	4	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON)	N(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(ON){1|C<3>,2|H<1>}	N(CC[6a]H)(OC[6a])	112.0980	0.000	1	112.0980	0.000	1	113.2998	1.031	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	N(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	N(CC[6a]H)(OC[6a])	114.3590	0.000	1	114.3590	0.000	1	113.2998	1.031	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON)	N(CC[6a]C)(OC[6a])	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	N(CC[6a]C)(OC[6a])	113.1570	0.000	1	113.1570	0.000	1	113.2998	1.031	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON)	N(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	N(CC[6a]H)(OC[6a])	112.5780	0.000	1	113.4425	1.495	2	113.2998	1.031	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C-3:O-2:	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON)	N(CC[6a]H)(OC[6a])	O(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(ON){1|H<1>,2|C<3>}	N(CC[6a]H)(OC[6a])	114.3070	0.000	1	113.4425	1.495	2	113.2998	1.031	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON)	N(C[6]C[6]2)(OC[6a])	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(ON){1|C<3>,2|H<1>}	N(C[6]C[6]2)(OC[6a])	111.3943	0.974	3	111.3943	0.949	3	111.4910	0.846	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	941	0:SP2_SP2_SP2	O	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(ON)	N(C[6]C[5,6]C[6])(OC[6a])	O(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(ON){1|C<3>,2|H<1>}	N(C[6]C[5,6]C[6])(OC[6a])	111.6360	1.189	2	111.6360	1.415	2	111.4910	0.846	5	112.3954	1.743	10	112.1835	1.257	18	112.1835	1.257	18
893	643	943	0:SP2_SP-NON_SP2	O	C[6a]	Ga[6]	4:3:	3:3:2:	4:2:2:1:	Ga[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5,6]-4:O[6]-2:O-2:Cl-1:	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OGa[6])	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(OGa[6]){1|C<3>,2|H<1>}	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1	127.6340	0.000	1
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	2:3:2:	2:4:4:	C[6a]-3:P-3:	N[6a]-2:C[6a]-3:O-2:	O-2:C-4:C-4:	O(C[6a]C[6a]N[6a])(PCC)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP)	P(OC[6a])(CC3)2	O(C[6a]C[6a]N[6a])(PCC)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|N<3>}	P(OC[6a])(CC3)2	123.5180	0.000	1	123.5180	0.000	1	123.5180	0.000	1	123.5180	0.000	1	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:1:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:N-2:Cl-1:	O(C[6a]C[6a]2)(PClN)	C[6a](C[6a]C[6a]C)2(OP)	P(OC[6a])(NP)(Cl)	O(C[6a]C[6a]2)(PClN)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	P(OC[6a])(NP)(Cl)	113.3570	0.296	2	113.3570	0.087	2	113.3570	0.087	2	119.0745	44.272	4	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:1:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:Cl-1:	O(C[6a]C[6a]2)(PClO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	P(OC[6a])2(Cl)	O(C[6a]C[6a]2)(PClO)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	P(OC[6a])2(Cl)	124.7920	1.403	2	124.7920	1.968	2	124.7920	1.968	2	119.0745	44.272	4	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a,6a]C[6a])(POO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(OC[6a])3	O(C[6a]C[6a,6a]C[6a])(POO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	P(OC[6a])3	123.7900	4.337	3	123.7900	18.809	3	123.7900	18.809	3	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-2:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP)	P(OC[6a])2(NC)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	P(OC[6a])2(NC)	128.2010	1.633	2	128.2010	2.668	2	128.2010	2.668	2	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OP){1|H<1>,4|C<3>}	P(OC[6a])3	117.4245	4.685	4	117.4245	21.947	4	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(OC[6a])3	119.9230	0.000	1	119.9230	0.000	1	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OP){1|H<1>,4|C<3>}	P(OC[6a])3	120.2032	3.421	8	120.2032	11.705	8	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	P(OC[6a])2(OC)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){1|C<4>,1|H<1>,3|C<3>}	P(OC[6a])2(OC)	118.7720	6.006	2	122.4620	26.164	8	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	P(OC[6a])2(OC)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	P(OC[6a])2(OC)	123.6920	4.707	6	122.4620	26.164	8	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	P(OC[6a])3	118.7790	2.628	2	118.7790	6.904	2	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	P(OC[6a])3	120.6517	3.991	6	120.6517	15.927	6	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	P(OC[6a])3	122.1770	0.486	4	122.1770	0.236	4	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP)	P(OC[6a])2(OC)	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	P(OC[6a])2(OC)	115.2275	0.418	2	115.2275	0.175	2	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	P(OC[6a])3	130.0243	15.192	3	130.0243	230.792	3	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:O-2:	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]H)2(OP)	P(OC[6a])3	O(C[6a]C[6a]2)(POO)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	P(OC[6a])3	121.5547	4.562	6	121.5547	20.811	6	121.1585	32.239	44	121.6071	32.014	49	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:3:	C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[5,6a]C[6a])(PNO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP)	P(OC[6a])2(NCC)	O(C[6a]C[5,6a]C[6a])(PNO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>,3|C<4>}	P(OC[6a])2(NCC)	115.9702	4.293	4	115.9702	18.429	4	115.9702	18.429	4	119.5162	32.855	16	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:3:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(OC[6a])2(NCC)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(OC[6a])2(NCC)	119.0357	7.129	6	119.0357	50.823	6	120.6983	33.680	12	119.5162	32.855	16	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:3:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	P(OC[6a])2(NCC)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){1|H<1>,1|O<2>,3|C<3>}	P(OC[6a])2(NCC)	122.5000	8.369	2	123.3507	37.194	3	120.6983	33.680	12	119.5162	32.855	16	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:3:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	P(OC[6a])2(NCC)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	P(OC[6a])2(NCC)	125.0520	0.000	1	123.3507	37.194	3	120.6983	33.680	12	119.5162	32.855	16	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:3:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	P(OC[6a])2(NCC)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|C<4>,1|H<1>}	P(OC[6a])2(NCC)	122.3610	0.000	1	122.3610	0.000	1	120.6983	33.680	12	119.5162	32.855	16	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:2:3:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:O-2:N-3:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP)	P(OC[6a])2(NCP)	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]C)2(OP){1|C<3>,2|H<1>}	P(OC[6a])2(NCP)	120.8760	1.208	2	120.8760	1.459	2	120.6983	33.680	12	119.5162	32.855	16	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	2:4:4:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	O-2:C-4:C-4:	O(C[6a]C[6a]2)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	P(OC[6a])(CC3)2	O(C[6a]C[6a]2)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,1|H<1>,1|O<2>}	P(OC[6a])(CC3)2	123.2458	0.567	4	123.2458	0.322	4	123.2458	0.322	4	123.2458	0.322	4	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP)	P(C[6a]C[6a]2)(OC[6a])2	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OP){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(OC[6a])2	117.2215	2.801	2	117.2215	7.845	2	120.1614	6.438	8	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP)	P(C[6a]C[6,6a]C[6a])(OC[6a])2	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>}	P(C[6a]C[6,6a]C[6a])(OC[6a])2	120.7515	1.523	4	120.7515	2.321	4	120.1614	6.438	8	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]H)2(OP)	P(C[6a]C[6a,6a]C[6a])(OC[6a])2	O(C[6a]C[6a]2)(PC[6a]O)	C[6a](C[6a]C[6a]H)2(OP){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(OC[6a])2	121.9210	2.321	2	121.9210	5.386	2	120.1614	6.438	8	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-2:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(NC[6a]C)(OC[6a])2	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(NC[6a]C)(OC[6a])2	117.9705	1.406	2	117.9705	1.978	2	120.1835	7.787	6	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-2:	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP)	P(NC[6a]P)(OC[6a])2	O(C[6a]C[6a]2)(PNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OP){1|C<3>,2|H<1>}	P(NC[6a]P)(OC[6a])2	121.2900	2.724	4	121.2900	7.422	4	120.1835	7.787	6	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[5]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[5]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(N[5]C[5,6a]C[5])(OC[6a])2	O(C[6a]C[6a]2)(PN[5]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(N[5]C[5,6a]C[5])(OC[6a])2	119.2262	5.253	4	119.2262	27.590	4	119.2262	27.590	4	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP)	P(N[6]C[6]2)(OC[6a])2	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	P(N[6]C[6]2)(OC[6a])2	119.0410	9.239	2	119.0410	85.360	2	120.8651	31.437	16	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(N[6]C[6,6]C[6])(OC[6a])2	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(N[6]C[6,6]C[6])(OC[6a])2	119.9080	7.498	2	119.9080	56.222	2	120.8651	31.437	16	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(N[6]C[6,6a]C[6])(OC[6a])2	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(N[6]C[6,6a]C[6])(OC[6a])2	120.9315	4.956	2	120.9315	24.563	2	120.8651	31.437	16	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(N[6]C[6]2)(OC[6a])2	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(N[6]C[6]2)(OC[6a])2	120.0032	8.088	4	120.0032	65.417	4	120.8651	31.437	16	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP)	P(N[6]C[6]2)(OC[6a])2	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP){1|H<1>,4|C<3>}	P(N[6]C[6]2)(OC[6a])2	120.0360	6.713	2	120.0360	45.068	2	120.8651	31.437	16	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-2:	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP)	P(N[6]C[6]2)(OC[6a])2	O(C[6a]C[6a]2)(PN[6]O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OP){1|H<1>,2|C<3>}	P(N[6]C[6]2)(OC[6a])2	123.4990	2.799	4	123.4990	7.833	4	120.8651	31.437	16	120.3864	19.637	34	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:3:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP)	P(C[6a]C[6a]2)2(OC[6a])	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OP){1|C<4>,1|H<1>,3|C<3>}	P(C[6a]C[6a]2)2(OC[6a])	119.3420	0.000	1	119.3420	0.000	1	125.9490	32.777	3	125.9490	32.777	3	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	3:3:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)	P(C[6a]C[6a]2)2(OC[6a])	O(C[6a]C[6a]2)(PC[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP){1|H<1>,6|C<3>}	P(C[6a]C[6a]2)2(OC[6a])	129.2525	0.274	2	129.2525	0.075	2	125.9490	32.777	3	125.9490	32.777	3	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	4:2:2:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:O-2:	O(C[6a]C[6a]2)(PC[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP)	P(C[5]C[5]2Fe)(OC[6a])2	O(C[6a]C[6a]2)(PC[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	P(C[5]C[5]2Fe)(OC[6a])2	120.9255	0.627	2	120.9255	0.393	2	120.9255	0.393	2	120.9255	0.393	2	121.1473	26.744	117	121.1473	26.744	117
893	643	945	0:SP2_SP2_SP3	O	C[6a]	P	3:3:	3:3:2:	4:2:3:	C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:N-3:	O(C[6a]C[6a]2)(PC[5]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP)	P(C[5]C[5]2Fe)(OC[6a])(NCC)	O(C[6a]C[6a]2)(PC[5]N)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OP){1|H<1>,4|C<3>}	P(C[5]C[5]2Fe)(OC[6a])(NCC)	124.3983	0.370	4	124.3983	0.137	4	124.3983	0.137	4	124.3983	0.137	4	121.1473	26.744	117	121.1473	26.744	117
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:O-2:	O-2:	O(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH)	H(OC[6a])	O(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4410	0.000	1	109.4410	0.000	1	109.4565	0.000	2	109.4565	0.000	2	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	2:2:2:	2:	C[6a]-3:H-1:	N[6a]-2:N[6a]-2:O-2:	O-2:	O(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH)	H(OC[6a])	O(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH){2|C<3>}	H(OC[6a])	109.4720	0.000	1	109.4720	0.000	1	109.4565	0.000	2	109.4565	0.000	2	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	2:3:2:	2:	C[6a]-3:H-1:	N[6a]-2:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]C)(OH){1|O<1>,2|N<3>}	H(OC[6a])	111.9405	0.981	2	111.9405	0.962	2	112.5037	1.432	3	112.5037	1.432	3	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	2:3:2:	2:	C[6a]-3:H-1:	N[6a]-2:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(OH){1|C<3>,1|N<3>}	H(OC[6a])	113.6300	0.000	1	113.6300	0.000	1	112.5037	1.432	3	112.5037	1.432	3	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH)	H(OC[6a])	O(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6a])	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){1|H<1>,4|C<3>}	H(OC[6a])	113.9480	2.290	2	110.7648	10.098	9	110.7648	10.098	9	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.8553	2.872	7	110.7648	10.098	9	110.7648	10.098	9	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(OH){1|O<2>,4|C<3>}	H(OC[6a])	109.4720	0.000	1	109.4720	0.000	1	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.5080	0.000	1	109.5080	0.000	1	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OH){1|H<1>,1|N<3>,1|O<1>}	H(OC[6a])	109.4113	0.035	3	109.4113	0.001	3	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<3>,1|H<1>,1|P<4>}	H(OC[6a])	109.9840	0.000	2	110.1591	1.623	12	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|C<4>,1|N<2>,1|N<3>}	H(OC[6a])	110.9630	0.000	1	110.1591	1.623	12	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.7160	0.652	6	110.1591	1.623	12	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,1|O<2>,1|S<2>}	H(OC[6a])	109.4675	0.063	2	110.1591	1.623	12	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OH){1|N<2>,2|N<3>}	H(OC[6a])	113.7470	0.000	1	110.1591	1.623	12	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4870	0.000	1	112.2015	14.737	2	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OH){1|C<3>,2|H<1>}	H(OC[6a])	114.9160	0.000	1	112.2015	14.737	2	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-2:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OH){1|C<3>,1|N<3>,1|O<1>}	H(OC[6a])	110.9685	4.221	2	110.9685	17.814	2	110.2601	3.121	21	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:2:2:	2:	C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O-2:	O-2:	O(C[6a]C[6a]O[6a])(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a]O[6a])(H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(OH){1|C<3>,1|O<1>,1|O<2>}	H(OC[6a])	106.0050	2.772	2	106.0050	7.683	2	106.0050	7.683	2	110.1168	5.915	33	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	110.4755	1.364	2	110.4755	1.861	2	115.9210	89.891	3	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[5,6,6a]C[6a])(H)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	H(OC[6a])	126.8120	0.000	1	126.8120	0.000	1	115.9210	89.891	3	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])2(OH)	H(OC[6a])	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])2(OH){1|C<3>,8|C<4>}	H(OC[6a])	110.2807	1.454	3	110.2807	2.114	3	110.0867	1.560	4	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])2(OH)	H(OC[6a])	O(C[6a]C[5,6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])2(OH){1|C<3>,4|C<4>}	H(OC[6a])	109.5050	0.000	1	109.5050	0.000	1	110.0867	1.560	4	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(OC[6a])	108.2900	5.285	2	108.2900	27.930	2	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(OC[6a])	108.5760	0.000	1	108.5760	0.000	1	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(OC[6a])	109.4728	0.013	5	109.0162	22.064	12	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(OC[6a])	108.5650	6.932	6	109.0162	22.064	12	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4410	0.000	1	109.0162	22.064	12	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	105.2830	0.000	1	103.9735	12.063	6	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(OC[6a])	109.4280	0.000	1	103.9735	12.063	6	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	102.2825	2.409	4	103.9735	12.063	6	107.4853	21.778	21	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6a])	110.3895	1.864	4	110.3895	3.474	4	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	H(OC[6a])	109.4680	0.000	1	109.4680	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6a])	109.4860	0.000	1	109.4860	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6a])	108.5013	3.983	13	108.5013	15.861	13	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	H(OC[6a])	109.4860	0.000	1	109.4860	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(OC[6a])	109.4540	0.020	2	109.4447	0.000	3	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<4>,3|C<3>}	H(OC[6a])	109.4260	0.000	1	109.4447	0.000	3	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4605	0.015	2	109.4605	0.000	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6a])	109.4890	0.000	1	109.4890	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(OC[6a])	109.4190	0.000	1	108.6567	1.704	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6a])	109.4980	0.000	1	108.6567	1.704	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	107.1687	1.345	3	108.6567	1.704	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,4|C<3>}	H(OC[6a])	109.2790	0.000	1	108.6567	1.704	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.4695	0.028	2	108.6567	1.704	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6a])	109.2690	0.000	1	108.6567	1.704	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6a])	109.4590	0.000	1	109.4590	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(OH){1|C<4>,2|O<2>,3|C<3>}	H(OC[6a])	108.9967	0.959	4	108.9967	0.919	4	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	106.5600	0.000	1	108.2510	5.719	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.9420	0.000	1	108.2510	5.719	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	H(OC[6a])	105.2130	0.000	1	109.6345	39.099	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	H(OC[6a])	114.0560	0.000	1	109.6345	39.099	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(OH){2|C<3>,2|H<1>,2|O<2>}	H(OC[6a])	115.9720	0.000	1	115.9720	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4475	0.036	4	109.4475	0.001	4	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	H(OC[6a])	113.0130	0.000	1	113.0130	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	H(OC[6a])	109.4720	0.007	2	109.4720	0.000	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6a])	109.4940	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	112.2130	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6a])	109.4030	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(OC[6a])	109.5280	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6a])	104.4470	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	108.9660	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	109.4660	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	109.4670	0.021	2	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	105.2220	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4960	0.000	1	108.8335	4.661	11	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(OC[6a])	121.8420	0.000	1	121.8420	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	109.4910	0.000	1	109.4983	0.001	3	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	109.5020	0.034	2	109.4983	0.001	3	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(OC[6a])	109.5320	0.062	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6a])	110.3675	1.268	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(OC[6a])	109.4870	0.062	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	109.5110	0.083	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6a])	109.4350	0.011	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(OC[6a])	111.5490	0.000	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(OC[6a])	108.6390	1.192	2	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6a])	109.4850	0.000	1	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	109.4550	0.087	4	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(OC[6a])	109.4410	0.000	1	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.5140	0.000	1	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	109.3900	0.000	1	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6a])	111.6773	3.877	3	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	109.8537	5.110	3	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|O<2>}	H(OC[6a])	109.5000	0.000	1	109.8891	3.820	29	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	109.4682	0.018	4	109.4717	0.000	6	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	109.4785	0.006	2	109.4717	0.000	6	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|C<4>}	H(OC[6a])	109.5010	0.000	1	109.5010	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6a])	109.3095	0.078	2	109.3095	0.006	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6a])	109.4850	0.000	1	109.4850	0.000	1	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6a])	111.1224	2.856	8	110.9376	7.443	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>}	H(OC[6a])	109.4590	0.000	1	110.9376	7.443	9	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6a])	114.5770	0.000	1	112.0265	13.010	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	H(OC[6a])	109.4760	0.000	1	112.0265	13.010	2	109.6865	6.535	117	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH)	H(OC[6a])	O(C[6a]C[5a,6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(OH){2|N<3>,2|O<1>,3|C<3>}	H(OC[6a])	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.4550	0.000	1	109.4550	0.000	1	109.4670	0.000	2	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6,6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH){3|C<4>,4|C<3>}	H(OC[6a])	109.4790	0.000	1	109.4790	0.000	1	109.4670	0.000	2	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(OH){1|N<3>,4|C<3>}	H(OC[6a])	125.6450	0.000	1	125.6450	0.000	1	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(OH){1|N<3>,4|C<3>}	H(OC[6a])	109.4935	0.062	2	109.4935	0.004	2	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|N<3>,3|C<3>}	H(OC[6a])	109.4380	0.000	1	108.9465	7.715	14	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	101.4030	0.000	1	108.9465	7.715	14	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	H(OC[6a])	109.5342	1.883	12	108.9465	7.715	14	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	116.3305	2.121	2	116.3305	4.497	2	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(OH){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(OC[6a])	111.8810	0.000	1	111.8810	0.000	1	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(OC[6a])	109.5720	0.355	4	108.7310	2.874	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6a])	107.0490	2.346	2	108.7310	2.874	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|S<4>,3|C<3>}	H(OC[6a])	109.4720	0.000	1	109.4720	0.000	1	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	108.2880	0.000	1	107.4265	16.601	10	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	H(OC[6a])	109.0575	0.643	2	107.4265	16.601	10	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	106.8375	4.839	7	107.4265	16.601	10	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	H(OC[6a])	109.4590	0.000	1	110.2352	0.741	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	110.8320	0.000	1	110.2352	0.741	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,2|C<3>}	H(OC[6a])	111.3720	0.000	1	110.2352	0.741	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4785	0.008	2	110.2352	0.741	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	110.7910	0.000	1	110.2352	0.741	6	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	H(OC[6a])	115.2970	0.000	1	115.2970	0.000	1	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4095	0.081	2	109.4095	0.007	2	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(OH){1|N<2>,1|S<2>,2|C<3>}	H(OC[6a])	115.3810	0.000	1	115.3810	0.000	1	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	H(OC[6a])	110.8900	0.000	1	109.9300	0.692	3	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4500	0.045	2	109.9300	0.692	3	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[5a,6a]C[6a])(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.8690	4.913	2	109.8690	24.137	2	109.8266	15.196	52	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|C<4>,2|H<1>,5|C<3>}	H(OC[6a])	109.4845	0.015	2	110.4183	7.291	4	110.4183	7.291	4	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|H<1>,3|C<3>,4|C<4>}	H(OC[6a])	111.3520	4.288	2	110.4183	7.291	4	110.4183	7.291	4	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6,6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6,6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(OC[6a])	104.4055	0.342	2	104.4055	0.117	2	104.4055	0.117	2	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[6a])	109.4745	0.013	2	109.4745	0.000	2	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(OC[6a])	109.5030	0.000	1	109.5560	3.643	11	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,4|C<3>}	H(OC[6a])	110.9875	1.973	4	109.5560	3.643	11	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[6a])	108.4377	1.727	3	109.5560	3.643	11	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	108.2170	1.765	2	109.5560	3.643	11	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.9160	0.000	1	109.5560	3.643	11	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	H(OC[6a])	109.4600	0.000	1	109.4600	0.000	1	109.5375	2.803	14	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){2|C<3>,5|C<4>}	H(OC[6a])	109.4635	0.020	4	109.4784	0.001	5	109.4784	0.001	5	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	H(OC[6a])	O(C[6a]C[5,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){3|C<3>,4|C<4>}	H(OC[6a])	109.5380	0.000	1	109.4784	0.001	5	109.4784	0.001	5	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	109.4750	0.000	1	109.4750	0.000	1	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(OC[6a])	109.4190	0.000	1	109.4190	0.000	1	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,5|C<3>}	H(OC[6a])	109.7000	0.000	1	109.5775	0.030	2	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(OC[6a])	109.4550	0.000	1	109.5775	0.030	2	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(OC[6a])	107.2270	0.000	1	108.1722	2.236	6	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(OC[6a])	109.4870	0.000	1	108.1722	2.236	6	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	106.6640	0.711	2	108.1722	2.236	6	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	H(OC[6a])	O(C[6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(OC[6a])	109.4955	0.015	2	108.1722	2.236	6	108.7082	1.727	10	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	102.8060	0.000	1	102.8060	0.000	1	102.8060	0.000	1	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	H(OC[6a])	111.6980	0.000	1	111.6980	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(OC[6a])	109.4780	0.000	1	107.2844	12.109	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4532	0.037	4	107.2844	12.109	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	105.1087	3.909	6	107.2844	12.109	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4700	0.000	1	107.2844	12.109	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	107.1030	0.000	1	107.1030	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6a])	109.4630	0.003	2	109.4630	0.000	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(OC[6a])	109.4720	0.000	1	110.6267	19.734	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	H(OC[6a])	109.4700	0.000	1	110.6267	19.734	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	112.1653	7.279	3	110.6267	19.734	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	109.4690	0.000	1	110.6267	19.734	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6a])	109.4800	0.000	1	110.6267	19.734	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	104.9540	0.000	1	104.9540	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	H(OC[6a])	103.1090	0.000	1	103.1090	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6a])	109.4395	0.035	2	109.4395	0.001	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6a])	108.5700	0.000	1	108.5700	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	107.7270	0.000	1	107.7270	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.0955	2.203	2	109.0955	4.852	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.4828	0.046	5	109.4786	0.001	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.4900	0.000	1	109.4786	0.001	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4913	0.010	3	109.4786	0.001	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4350	0.000	1	109.4786	0.001	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	H(OC[6a])	109.4520	0.000	1	109.4786	0.001	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[6a])	108.9820	0.635	2	108.9820	0.403	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.7420	0.000	1	110.9783	5.622	3	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(OH){2|C<4>,3|C<3>}	H(OC[6a])	111.5965	2.992	2	110.9783	5.622	3	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6a])	108.7860	0.000	1	109.2397	0.155	3	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.4665	0.026	2	109.2397	0.155	3	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	H(OC[6a])	109.0278	0.744	6	109.9665	9.034	8	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6a])	108.3480	0.000	1	109.9665	9.034	8	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	H(OC[6a])	117.2170	0.000	1	109.9665	9.034	8	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(OC[6a])	109.4754	0.009	5	109.4754	0.000	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(OC[6a])	109.4915	0.056	2	109.4910	0.001	4	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6,6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	H(OC[6a])	109.4905	0.026	2	109.4910	0.001	4	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	H(OC[6a])	110.4920	1.406	2	110.4920	1.976	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6a])	109.5007	0.022	3	109.8290	0.723	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	109.4650	0.000	1	109.8290	0.723	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	H(OC[6a])	111.5640	0.000	1	109.8290	0.723	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.4430	0.000	1	109.8290	0.723	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(OC[6a])	100.8890	0.000	1	100.8890	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(OC[6a])	112.8790	0.000	1	108.8978	7.995	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	109.4790	0.000	1	108.8978	7.995	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4530	0.000	1	108.8978	7.995	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	106.3390	1.546	2	108.8978	7.995	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(OC[6a])	109.4500	0.000	1	110.5094	7.548	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4390	0.000	1	110.5094	7.548	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4520	0.000	1	110.5094	7.548	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	113.1530	5.071	2	110.5094	7.548	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,4|C<3>}	H(OC[6a])	109.4595	0.015	2	110.5094	7.548	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(OC[6a])	109.4720	0.000	1	107.5401	16.542	10	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4463	0.051	3	107.5401	16.542	10	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	H(OC[6a])	109.4685	0.042	4	107.5401	16.542	10	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){3|C<3>,3|C<4>}	H(OC[6a])	99.8579	1.150	2	107.5401	16.542	10	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	110.6916	2.753	5	110.6916	7.582	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	112.9650	0.000	1	112.9650	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	H(OC[6a])	109.6960	0.000	1	109.6960	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	H(OC[6a])	109.4772	0.028	4	109.4772	0.001	4	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	109.4770	0.000	1	109.0694	1.084	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[6a])	108.5480	1.593	3	109.0694	1.084	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4550	0.016	3	109.0694	1.084	7	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	109.4270	0.000	1	109.4270	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	106.4593	3.590	3	107.8381	6.450	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[6a])	109.4610	0.000	1	107.8381	6.450	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	109.4832	0.028	4	107.8381	6.450	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){2|C<3>,4|C<4>}	H(OC[6a])	106.4823	2.651	3	107.8381	6.450	11	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	109.4405	0.021	2	109.4405	0.000	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	106.0990	0.000	1	106.2075	0.024	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	106.3160	0.000	1	106.2075	0.024	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH){1|O<1>,4|C<3>}	H(OC[6a])	109.4780	0.000	1	109.4780	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	109.4470	0.000	1	109.4470	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4510	0.000	1	110.6893	2.947	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	109.4556	0.027	5	110.6893	2.947	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	H(OC[6a])	112.2147	1.672	4	110.6893	2.947	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	111.3420	2.175	2	110.6893	2.947	12	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6a])	109.4766	0.037	5	108.3439	5.652	9	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	110.7540	0.000	1	108.3439	5.652	9	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,3|C<4>}	H(OC[6a])	105.1450	0.000	1	108.3439	5.652	9	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	105.9065	3.297	2	108.3439	5.652	9	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	107.3519	3.174	8	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6a])	109.5075	0.074	2	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[6a])	108.8860	1.320	5	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	109.4660	0.035	5	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	105.5120	0.000	1	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4625	0.073	2	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	108.8142	1.473	5	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	107.6485	2.599	2	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	H(OC[6a])	106.7964	3.112	5	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4975	0.009	2	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	103.3765	0.368	2	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<7>,1|O<1>,3|C<3>}	H(OC[6a])	105.6040	0.000	1	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	105.8972	2.500	4	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4950	0.000	1	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.2732	0.462	5	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	107.4475	2.279	6	107.9083	5.520	56	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(OC[6a])	112.1800	0.000	1	112.1800	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<1>,5|C<3>}	H(OC[6a])	108.6600	0.000	1	108.1085	0.608	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(OC[6a])	107.5570	0.000	1	108.1085	0.608	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|Br<1>,1|O<1>,3|C<3>}	H(OC[6a])	102.2150	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6a])	108.8995	1.477	21	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(OC[6a])	105.3910	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(OC[6a])	111.1550	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	108.6837	1.876	25	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(OC[6a])	107.4710	2.891	2	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(OC[6a])	109.4700	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(OC[6a])	107.8387	2.696	14	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	H(OC[6a])	109.4805	0.001	2	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6a])	103.5990	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	109.4945	0.024	6	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	H(OC[6a])	109.4520	0.030	3	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	109.4563	0.013	3	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	109.4420	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(OC[6a])	108.2630	1.607	20	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4330	0.013	2	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.4600	0.044	4	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	H(OC[6a])	108.1871	2.749	18	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.3335	0.226	2	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	H(OC[6a])	109.4970	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	107.1200	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.5025	0.016	2	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	107.8703	2.613	51	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	106.3220	0.000	1	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	107.1266	5.075	17	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4650	0.019	3	108.2523	6.561	204	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	107.1985	0.726	2	107.1350	2.499	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|N<3>,1|O<1>,3|C<3>}	H(OC[6a])	105.6235	1.242	2	107.1350	2.499	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|O<1>,4|C<3>}	H(OC[6a])	108.5830	1.286	2	107.1350	2.499	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(OC[6a])	109.4780	0.004	2	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(OC[6a])	100.6250	0.000	1	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(OC[6a])	107.1833	3.923	3	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(OC[6a])	109.4890	0.000	1	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	108.7483	2.492	3	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	103.2310	0.000	1	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.5045	0.025	2	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	110.7970	0.000	1	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	110.2183	2.036	3	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	107.1672	3.200	5	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.4660	0.000	1	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>,2|O<2>}	H(OC[6a])	109.5100	0.000	1	108.1404	9.322	24	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.7500	0.000	1	109.7500	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	106.4718	5.934	5	106.4718	35.218	5	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	101.1193	9.025	2	110.5852	16.148	71	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	111.8205	2.591	8	110.5852	16.148	71	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	109.4970	0.000	1	110.5852	16.148	71	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.5190	0.000	1	110.5852	16.148	71	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,2|C<3>}	H(OC[6a])	109.4590	0.000	1	110.5852	16.148	71	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	110.7978	3.756	58	110.5852	16.148	71	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	H(OC[6a])	106.2320	0.000	1	106.2320	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	H(OC[6a])	117.1850	0.000	1	117.1850	0.000	1	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]H)(OH){1|C<4>,1|O<2>,2|C<3>}	H(OC[6a])	109.4555	0.026	2	109.4555	0.001	2	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[6a])	104.2855	1.329	2	106.8962	9.676	4	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>}	H(OC[6a])	109.5070	0.006	2	106.8962	9.676	4	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|B<4>,1|H<1>,2|C<3>}	H(OC[6a])	112.2790	0.000	1	110.3990	2.651	3	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OH){1|Ga<5>,1|H<1>,2|C<3>}	H(OC[6a])	109.4590	0.006	2	110.3990	2.651	3	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[6a])	110.4190	0.000	1	109.1567	0.858	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[6a])	108.7627	0.812	4	109.1567	0.858	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>}	H(OC[6a])	109.4700	0.000	1	109.1567	0.858	6	108.7686	8.840	542	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	H(OC[6a])	104.9280	0.000	1	108.5612	4.126	5	116.4491	184.225	7	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(OC[6a])	109.4950	0.000	1	108.5612	4.126	5	116.4491	184.225	7	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	H(OC[6a])	109.4950	0.000	1	108.5612	4.126	5	116.4491	184.225	7	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(OC[6a])	109.4390	0.000	1	108.5612	4.126	5	116.4491	184.225	7	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(OH){1|S<4>,2|H<1>,5|C<3>}	H(OC[6a])	109.4490	0.000	1	108.5612	4.126	5	116.4491	184.225	7	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[5,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(OH){2|C<4>,3|C<3>}	H(OC[6a])	136.1690	0.021	2	136.1690	0.000	2	116.4491	184.225	7	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6a])	108.5260	0.000	1	109.2460	0.231	4	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	109.4860	0.014	3	109.2460	0.231	4	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[5,6])(OH){1|O<2>,2|C<4>,4|C<3>}	H(OC[6a])	108.2250	0.000	1	108.2250	0.000	1	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	103.0870	0.000	1	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(OC[6a])	104.1942	2.461	8	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(OC[6a])	105.5317	1.747	6	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	104.8850	0.000	1	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(OC[6a])	107.1530	2.590	11	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,2|O<2>,4|C<3>}	H(OC[6a])	111.7720	0.000	1	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<3>,2|H<1>,4|C<3>}	H(OC[6a])	118.7810	0.000	1	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(OC[6a])	106.7905	1.211	2	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,5|C<3>}	H(OC[6a])	109.4780	0.000	1	106.4691	12.288	32	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<2>,1|O<1>,4|C<3>}	H(OC[6a])	102.0150	0.074	2	102.0150	0.005	2	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,2|H<1>,4|C<3>}	H(OC[6a])	109.4913	0.035	3	109.4913	0.001	3	106.7791	11.673	42	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	H(OC[6a])	109.4740	0.000	1	109.4740	0.000	1	108.9666	20.143	8	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(OH){1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	103.3430	0.461	2	103.3430	0.213	2	108.9666	20.143	8	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(OC[6a])	109.4450	0.000	1	111.1146	13.553	5	108.9666	20.143	8	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){2|H<1>,5|C<3>}	H(OC[6a])	112.2223	4.744	3	111.1146	13.553	5	108.9666	20.143	8	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){2|N<3>,5|C<3>}	H(OC[6a])	109.4610	0.000	1	111.1146	13.553	5	108.9666	20.143	8	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	108.8020	0.000	1	108.8020	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4710	0.000	1	109.4710	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	110.6976	5.710	46	110.6976	32.604	46	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4743	0.028	3	109.4743	0.001	3	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6a])	97.8769	9.160	3	97.8769	83.905	3	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6a])	109.2370	0.000	1	109.8085	0.649	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.9990	0.870	3	109.8085	0.649	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4710	0.000	1	109.4710	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)(OH){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(OC[6a])	109.5030	0.000	1	109.5030	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4430	0.000	1	109.4430	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	99.0310	6.041	2	104.2650	48.692	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4920	0.000	1	104.2650	48.692	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.5060	0.000	1	104.2650	48.692	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4650	0.000	1	109.4650	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)(OH){7|C<3>}	H(OC[6a])	109.4844	0.038	9	109.4844	0.001	9	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	105.8840	2.482	6	105.8840	6.162	6	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	111.6220	0.000	1	111.6220	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.5430	0.000	1	109.5430	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(OH){1|N<3>,4|C<3>}	H(OC[6a])	109.5115	0.063	2	109.5115	0.004	2	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]O)(OH){1|N<3>,4|C<3>}	H(OC[6a])	109.3040	0.000	1	109.3040	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(OH){1|N<3>,4|C<3>}	H(OC[6a])	109.4800	0.000	1	109.4800	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4900	0.000	1	109.4900	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,3|C<3>}	H(OC[6a])	109.4470	0.000	1	109.4470	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]C)(OH){2|O<2>,3|C<3>}	H(OC[6a])	109.3553	0.240	3	109.3553	0.058	3	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.5130	0.000	1	109.9338	0.919	6	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	H(OC[6a])	109.4755	0.004	2	109.9338	0.919	6	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	110.3870	1.844	2	109.9338	0.919	6	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	110.3650	0.000	1	109.9338	0.919	6	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[4,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.4850	0.000	1	109.4850	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	110.2395	1.063	2	109.9910	0.750	3	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C)(OH){2|O<2>,3|C<3>}	H(OC[6a])	109.4940	0.000	1	109.9910	0.750	3	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(OH){1|C<4>,1|H<1>,5|C<3>}	H(OC[6a])	109.4410	0.000	1	109.4410	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.4710	0.000	1	109.4710	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Si)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.4700	0.000	1	109.4700	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4627	0.032	4	109.4718	0.001	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C)(OH){1|O<2>,4|C<3>}	H(OC[6a])	109.5080	0.000	1	109.4718	0.001	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(OH){1|O<2>,4|C<3>}	H(OC[6a])	109.4670	0.000	1	109.4670	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	108.3410	0.000	1	109.2620	0.266	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(OC[6a])	109.4780	0.000	1	109.2620	0.266	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6a])	109.4820	0.000	1	109.2620	0.266	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])(OH){1|N<2>,2|H<1>,4|C<3>}	H(OC[6a])	109.5045	0.060	2	109.2620	0.266	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]Br)(OH){1|C<4>,1|O<2>,3|C<3>}	H(OC[6a])	108.4530	0.000	1	108.4530	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	111.5750	0.000	1	105.6057	19.530	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	101.5540	0.000	1	105.6057	19.530	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	102.8788	3.819	3	105.6057	19.530	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C)(OH){2|O<2>,3|C<3>}	H(OC[6a])	107.6933	3.171	3	105.6057	19.530	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.3862	0.390	5	108.8994	2.214	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4330	0.000	1	108.8994	2.214	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	107.4155	3.003	2	108.8994	2.214	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<2>,3|C<3>}	H(OC[6a])	109.4530	0.000	1	109.4530	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	106.2470	0.000	1	106.2470	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(OH){1|H<1>,1|O<2>,5|C<3>}	H(OC[6a])	114.9330	0.000	1	114.9330	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(OH){1|H<1>,6|C<3>}	H(OC[6a])	109.4680	0.035	3	109.4680	0.001	3	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,1|N<2>,3|C<3>}	H(OC[6a])	105.7290	0.000	1	105.2120	0.535	2	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(OH){1|H<1>,4|C<3>}	H(OC[6a])	104.6950	0.000	1	105.2120	0.535	2	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(OH){1|H<1>,4|C<3>}	H(OC[6a])	106.7380	0.000	1	106.7380	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,5|C<3>}	H(OC[6a])	109.4780	0.000	1	108.3943	7.898	11	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	H(OC[6a])	109.5087	2.076	4	108.3943	7.898	11	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(OC[6a])	109.4400	0.000	1	108.3943	7.898	11	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,5|C<3>}	H(OC[6a])	112.0420	0.000	1	108.3943	7.898	11	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,5|C<3>}	H(OC[6a])	107.5865	2.652	2	108.3943	7.898	11	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|O<1>,2|O<2>,4|C<3>}	H(OC[6a])	104.0845	0.124	2	108.3943	7.898	11	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.4675	0.032	2	109.4632	0.001	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4390	0.016	2	109.4632	0.001	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.5030	0.000	1	109.4632	0.001	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	107.0405	3.437	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	105.2425	0.838	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,3|C<3>}	H(OC[6a])	106.1400	4.714	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(OC[6a])	109.4710	0.000	1	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6a])	108.3770	5.228	12	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	105.5510	0.000	1	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.1744	6.400	17	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4896	0.642	8	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4225	0.036	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	111.4535	2.788	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4835	0.028	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	108.8038	1.630	13	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	107.3595	3.201	52	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){2|O<2>,3|C<3>}	H(OC[6a])	109.4515	0.077	2	108.1444	14.482	118	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	108.6990	0.000	1	109.0880	0.303	2	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	H(OC[6a])	109.4770	0.000	1	109.0880	0.303	2	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(OC[6a])	109.4530	0.000	1	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(OC[6a])	109.4840	0.000	1	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(OC[6a])	107.1030	0.000	1	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(OC[6a])	104.0415	0.043	2	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(OC[6a])	109.4860	0.000	1	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(OC[6a])	109.4730	0.000	1	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){2|C<4>,3|C<3>,3|H<1>}	H(OC[6a])	113.9440	0.000	1	108.3782	10.718	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	H(OC[6a])	105.5960	0.000	1	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	110.1584	1.647	5	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	108.5152	2.167	5	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,3|C<3>}	H(OC[6a])	107.4655	0.449	2	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	H(OC[6a])	109.5500	0.178	2	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(OC[6a])	107.9313	1.772	4	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	108.1363	2.537	12	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.8544	2.150	11	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,3|C<3>}	H(OC[6a])	109.4665	0.021	2	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.9718	1.195	22	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	110.6470	0.000	1	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	106.0487	3.848	3	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	107.3294	2.679	98	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|O<2>,4|C<3>}	H(OC[6a])	110.2740	0.000	1	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	110.6635	2.649	30	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	H(OC[6a])	109.5020	0.040	2	108.4842	7.585	201	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	H(OC[6a])	111.7120	0.000	1	111.7120	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	105.0070	6.259	2	107.2450	19.738	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){1|O<2>,4|C<3>}	H(OC[6a])	109.4960	0.000	1	107.2450	19.738	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4700	0.000	1	107.2450	19.738	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	106.8685	0.183	2	108.6670	5.694	44	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	107.1477	4.077	3	108.6670	5.694	44	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	112.0800	0.298	2	108.6670	5.694	44	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	108.5572	2.385	31	108.6670	5.694	44	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4555	0.039	6	108.6670	5.694	44	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){2|H<1>,3|C<3>}	H(OC[6a])	113.9490	0.000	1	113.9490	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(OC[6a])	109.4540	0.000	1	109.4978	0.002	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|H<1>,1|S<2>,3|C<3>}	H(OC[6a])	109.5277	0.032	3	109.4978	0.002	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(OH){1|O<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4520	0.000	1	109.4978	0.002	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4980	0.000	1	109.4980	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4875	0.019	2	109.4875	0.000	2	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	H(OC[6a])	108.3832	6.069	6	108.3832	36.829	6	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|Cl<1>,3|C<3>}	H(OC[6a])	109.4797	0.009	3	108.3266	9.494	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(OH){1|H<1>,3|C<3>}	H(OC[6a])	106.5970	5.292	2	108.3266	9.494	5	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	110.2840	0.000	1	108.8135	16.286	58	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	109.5010	0.024	2	108.8135	16.286	58	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	H(OC[6a])	108.7500	4.177	54	108.8135	16.286	58	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.3970	0.000	1	108.8135	16.286	58	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	H(OC[6a])	108.5570	2.035	4	108.5570	4.143	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4650	0.000	1	109.4650	0.000	1	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	H(OC[6a])	110.7140	3.750	4	110.7140	14.061	4	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|H<1>,3|C<3>}	H(OC[6a])	108.6973	1.407	6	108.8903	1.541	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OH){1|O<2>,3|C<3>}	H(OC[6a])	109.4690	0.031	2	108.8903	1.541	8	108.6346	12.447	631	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH){1|Pd<4>,2|H<1>,3|C<3>}	H(OC[6a])	109.4960	0.000	1	109.4745	0.001	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]As[6a]C[6a])(C[6a]C[6a]H)(OH){1|Pt<4>,2|H<1>,3|C<3>}	H(OC[6a])	109.4530	0.000	1	109.4745	0.001	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	118.5643	2.000	3	118.5643	3.999	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4790	0.000	1	109.4790	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[4a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,3|C<3>}	H(OC[6a])	110.6484	2.149	8	110.6484	4.617	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(OH){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(OC[6a])	109.5090	0.000	1	109.5090	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	109.4680	0.000	1	109.4680	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	H(OC[6a])	108.4710	0.000	1	108.4710	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4345	0.013	2	109.4345	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4715	0.047	2	109.4715	0.002	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|C<4>}	H(OC[6a])	115.7122	12.523	4	115.7122	156.813	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.4385	0.050	2	109.4385	0.003	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4510	0.000	1	108.4273	6.649	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	H(OC[6a])	108.2226	2.828	5	108.4273	6.649	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4110	0.128	5	109.4492	0.007	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.4693	0.009	6	109.4492	0.007	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.5190	0.000	1	109.4492	0.007	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	108.8040	2.662	2	109.1328	2.505	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4615	0.005	2	109.1328	2.505	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	H(OC[6a])	109.5100	0.000	1	109.5100	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	107.6130	0.000	1	107.6130	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4430	0.000	1	109.4430	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]H)(OH){1|C<4>,2|C<3>}	H(OC[6a])	113.4830	0.000	1	113.4830	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4780	0.000	1	109.4780	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.6148	2.563	5	108.8150	9.534	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	107.8151	3.010	9	108.8150	9.534	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.6230	0.000	1	109.6230	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<2>,1|C<3>,1|C<4>}	H(OC[6a])	109.4370	0.000	1	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.1317	1.829	9	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>}	H(OC[6a])	109.4160	0.000	1	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4977	0.069	4	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.4614	0.036	5	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	107.4230	2.874	2	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	109.0665	0.419	2	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4940	0.000	1	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4302	0.105	5	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4750	0.000	1	109.2076	1.429	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	108.9272	0.818	5	108.9272	0.669	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4394	0.036	5	109.6965	7.477	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4582	0.043	5	109.6965	7.477	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	111.5995	2.601	2	109.6965	7.477	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	109.2533	6.688	3	109.6965	7.477	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.5110	0.000	1	108.3700	2.604	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	H(OC[6a])	107.2290	0.000	1	108.3700	2.604	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.5055	0.008	2	109.5055	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.4760	0.000	1	109.4760	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]O)(C[6a]O[6a]C)(OH){2|C<3>}	H(OC[6a])	112.9905	3.945	2	112.9905	15.563	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	H(OC[6a])	113.2515	1.145	2	113.2515	1.311	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	H(OC[6a])	110.5023	1.386	3	110.5023	1.920	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	105.3290	0.000	1	105.3290	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]Cl)(OH){1|Cl<1>,2|C<3>}	H(OC[6a])	109.4560	0.000	1	109.4560	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>}	H(OC[6a])	109.4980	0.000	1	109.9830	0.978	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4930	0.000	1	109.9830	0.978	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	111.4660	0.000	1	109.9830	0.978	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4750	0.000	1	109.9830	0.978	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4680	0.025	2	109.4680	0.001	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(OC[6a])	109.4430	0.000	1	109.4430	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	109.5020	0.000	1	109.5020	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	H(OC[6a])	111.0440	0.000	1	111.0440	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,5|C<3>}	H(OC[6a])	109.4645	0.135	4	109.4802	0.012	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	H(OC[6a])	109.5115	0.023	2	109.4802	0.012	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	106.0985	4.909	2	106.0985	24.103	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]O)(OH){1|S<2>,4|C<3>}	H(OC[6a])	109.4840	0.000	1	109.4840	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a,6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.5390	0.000	1	109.5390	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	109.5252	0.074	4	109.6902	0.140	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OH){1|Si<4>,4|C<3>}	H(OC[6a])	110.3500	0.000	1	109.6902	0.140	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>}	H(OC[6a])	109.4515	0.033	2	108.7115	3.357	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	104.9720	0.000	1	108.7115	3.357	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4647	0.045	3	108.7115	3.357	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	110.0915	1.213	4	109.3691	1.356	36	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	108.5855	1.262	2	109.3691	1.356	36	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	109.3051	1.639	7	109.3691	1.356	36	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>}	H(OC[6a])	109.4590	0.000	1	109.3691	1.356	36	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.3180	1.046	21	109.3691	1.356	36	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>}	H(OC[6a])	109.4770	0.000	1	109.3691	1.356	36	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	H(OC[6a])	109.4985	0.028	2	109.3305	2.429	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.1810	0.000	1	109.3305	2.429	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	111.0530	0.000	1	109.3305	2.429	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	108.9162	2.386	5	109.3305	2.429	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.3847	0.120	3	109.3305	2.429	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4810	0.000	1	109.4810	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	H(OC[6a])	101.7750	0.000	2	101.7750	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	107.5220	0.000	1	107.5220	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.4700	0.000	1	109.4700	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]Si)(C[6a]C[6a]2)(OH){1|Si<4>,1|S<2>,3|C<3>}	H(OC[6a])	113.0480	0.000	1	113.0480	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(OC[6a])	109.4540	0.000	1	109.3450	0.049	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(OC[6a])	109.2905	0.284	2	109.3450	0.049	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6a])	106.7907	1.724	6	106.7907	2.972	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6,6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	H(OC[6a])	108.5585	1.266	2	108.5585	1.604	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6a])	106.9195	6.257	2	107.7580	21.685	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(OC[6a])	109.4350	0.000	1	107.7580	21.685	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Br)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	106.1890	0.000	1	106.1890	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	108.0224	3.075	7	107.5993	7.232	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(OC[6a])	108.0250	2.496	3	107.5993	7.232	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	107.7167	0.980	3	107.5993	7.232	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(OH){1|S<2>,2|C<3>,2|H<1>}	H(OC[6a])	103.0080	0.000	1	107.5993	7.232	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(OC[6a])	111.0163	2.678	3	111.0163	7.173	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.4140	0.000	1	109.4000	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]Cl)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.3860	0.000	1	109.4000	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	H(OC[6a])	107.6960	2.991	8	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(OC[6a])	109.4343	1.268	11	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	H(OC[6a])	109.4480	0.024	2	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	H(OC[6a])	109.9110	6.268	2	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(OC[6a])	109.4540	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	H(OC[6a])	109.4747	0.039	3	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.3220	2.139	49	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(OC[6a])	108.6424	2.223	9	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(OC[6a])	108.6499	1.502	21	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	H(OC[6a])	109.3399	1.050	8	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	105.0500	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(OC[6a])	109.4950	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|O<2>}	H(OC[6a])	109.4780	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	108.2640	1.721	2	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6a])	109.4690	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(OC[6a])	106.7805	1.791	2	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(OC[6a])	109.4900	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4480	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	108.5583	3.184	46	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[6a])	109.5951	0.805	7	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	106.0050	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){2|C<3>,3|O<2>}	H(OC[6a])	109.5070	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4670	0.000	1	108.8956	5.424	180	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	H(OC[6a])	109.4970	0.000	1	108.9828	7.816	24	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.1864	3.073	14	108.9828	7.816	24	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(OC[6a])	107.5147	3.928	4	108.9828	7.816	24	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[6a])	109.4842	0.052	5	108.9828	7.816	24	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	H(OC[6a])	106.2000	0.000	1	107.2426	2.736	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	H(OC[6a])	106.9220	1.539	3	107.2426	2.736	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){1|C<3>,2|H<1>,2|N<2>,2|S<2>}	H(OC[6a])	107.1650	1.999	3	107.2426	2.736	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]C[6a])2(OH){2|H<1>,2|N<3>,3|C<3>}	H(OC[6a])	109.4800	0.000	1	107.2426	2.736	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH){1|O<2>,3|C<3>}	H(OC[6a])	110.9850	0.000	1	110.2380	1.116	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(OH){1|S<2>,3|C<3>}	H(OC[6a])	109.4910	0.000	1	110.2380	1.116	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.5320	0.000	1	109.5320	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.0342	2.105	13	110.0342	4.433	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.3455	3.825	30	110.3455	14.633	30	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4960	0.000	1	109.4960	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4620	0.000	1	109.4620	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4540	0.000	1	109.4540	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.7480	0.000	1	109.7480	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.5600	0.000	1	109.5600	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	105.4930	5.571	2	106.7177	20.015	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6,6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.1670	0.000	1	106.7177	20.015	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	107.4534	8.026	6	109.7016	27.949	34	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	H(OC[6a])	113.4227	4.563	11	109.7016	27.949	34	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	H(OC[6a])	108.0912	3.392	15	109.7016	27.949	34	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.0590	1.997	2	109.7016	27.949	34	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]Cl)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	105.7708	5.246	5	105.7708	27.518	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	108.9249	2.643	7	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	108.1270	0.000	1	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	H(OC[6a])	106.9550	0.000	1	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.2662	4.544	4	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	H(OC[6a])	108.6580	1.219	2	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	103.0900	1.055	2	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	103.9770	0.000	1	107.8941	10.883	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.4350	0.000	1	109.4350	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4670	0.000	1	106.7443	7.479	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4950	0.000	1	106.7443	7.479	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	106.6745	0.982	4	106.7443	7.479	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	101.5500	0.000	1	106.7443	7.479	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C)2(OH){1|C<3>,2|O<2>}	H(OC[6a])	107.6447	3.166	3	107.6447	10.023	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	H(OC[6a])	109.5085	0.013	2	109.5085	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.4630	0.000	1	109.4630	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	108.4530	1.780	3	110.0664	15.515	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	112.4865	6.017	2	110.0664	15.515	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	H(OC[6a])	104.0950	0.000	1	104.0950	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	108.2220	0.000	1	108.2220	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH){1|C<4>,1|O<2>,3|C<3>}	H(OC[6a])	111.6380	0.779	2	110.9313	1.802	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(OH){1|C<4>,4|C<3>}	H(OC[6a])	109.5180	0.000	1	110.9313	1.802	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.5117	0.085	7	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.9555	4.021	2	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4913	0.016	3	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	H(OC[6a])	108.1450	1.358	5	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	H(OC[6a])	111.0110	0.000	1	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	112.1132	5.264	4	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4408	0.147	4	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(OH){1|Si<4>,1|C<3>,1|H<1>}	H(OC[6a])	109.4930	0.000	1	109.7190	5.565	27	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|B<3>,1|C<3>,1|H<1>}	H(OC[6a])	108.8730	4.151	2	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4290	1.791	72	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.3618	0.401	18	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.5217	0.067	3	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4496	0.760	34	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	109.3570	0.000	1	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.6243	1.273	13	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.5190	0.033	2	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	114.8822	19.536	13	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	107.9548	4.185	5	109.8267	32.773	163	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.2192	1.964	13	109.6453	4.691	23	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	H(OC[6a])	109.4550	0.000	1	109.6453	4.691	23	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4970	0.000	1	109.6453	4.691	23	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	108.7551	2.570	8	109.6453	4.691	23	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.9210	0.000	1	109.9210	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(OH){1|C<3>,2|O<2>}	H(OC[6a])	115.1587	5.107	3	115.1587	26.084	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]C)(OH){1|C<3>,2|C<4>}	H(OC[6a])	101.6670	0.000	1	101.6670	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.4630	0.000	1	109.4630	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	112.8110	4.608	3	111.1445	11.826	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4600	0.000	1	111.1445	11.826	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4610	0.000	1	111.1445	11.826	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.5130	0.000	1	111.1445	11.826	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.5100	0.000	1	107.3487	13.788	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	106.2680	4.535	2	107.3487	13.788	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4654	0.027	8	109.4714	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4740	0.000	1	109.4714	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4827	0.014	4	109.4714	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]S)(OH){1|C<3>,2|S<2>}	H(OC[6a])	112.4950	0.171	2	112.4950	0.029	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]Br)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.4570	0.000	1	109.4570	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]C)(OH){3|C<3>}	H(OC[6a])	109.4895	0.022	2	109.4895	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.5250	0.000	1	109.5250	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|Br<1>,2|C<3>}	H(OC[6a])	114.3820	8.214	2	110.8797	16.970	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.4788	0.046	5	110.8797	16.970	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	H(OC[6a])	105.6280	1.930	3	105.6280	3.725	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>}	H(OC[6a])	109.4710	0.000	1	106.9964	8.917	83	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.6270	1.007	6	106.9964	8.917	83	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	106.7562	2.998	76	106.9964	8.917	83	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	H(OC[6a])	109.4855	0.028	2	108.8210	15.521	242	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.5710	2.225	12	108.8210	15.521	242	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.7757	4.025	228	108.8210	15.521	242	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	102.9855	3.101	4	103.6205	11.970	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.5010	0.000	1	103.6205	11.970	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]O)(OH){3|C<3>}	H(OC[6a])	103.1433	3.293	7	103.6205	11.970	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4570	0.000	1	109.4570	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(OC[6a])	109.5237	0.049	3	107.9103	7.381	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	H(OC[6a])	103.3075	1.529	2	107.9103	7.381	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|Fe<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(OC[6a])	109.4980	0.000	1	107.9103	7.381	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	107.7195	2.514	2	107.9103	7.381	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	H(OC[6a])	109.5040	0.000	1	107.9103	7.381	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(OH){1|Ru<10>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	H(OC[6a])	109.4760	0.000	1	107.9103	7.381	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6a])	109.4830	0.043	4	109.4830	0.002	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	H(OC[6a])	109.4900	0.000	1	109.4900	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.5020	0.000	1	109.4062	16.202	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	110.0057	0.904	3	109.4062	16.202	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.8705	5.501	6	109.4062	16.202	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	H(OC[6a])	109.5130	0.000	1	109.4062	16.202	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|N<3>}	H(OC[6a])	104.6200	0.000	1	109.4062	16.202	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH){1|H<1>,2|C<3>,2|C<4>}	H(OC[6a])	109.4930	0.000	1	109.4930	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,1|N<2>,5|C<3>}	H(OC[6a])	109.4845	0.053	2	110.7223	2.507	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	H(OC[6a])	110.9698	1.629	10	110.7223	2.507	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4757	0.044	3	109.4757	0.002	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.8236	4.618	14	109.8236	21.329	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	H(OC[6a])	109.4008	0.045	5	110.3811	7.820	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[5])(OH){1|H<1>,1|O<2>,6|C<3>}	H(OC[6a])	112.8320	5.486	2	110.3811	7.820	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	H(OC[6a])	107.2810	4.193	2	107.2810	17.582	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH){1|F<1>,4|C<3>}	H(OC[6a])	109.4710	0.027	2	109.2848	2.432	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]F)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.0985	2.675	2	109.2848	2.432	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	H(OC[6a])	109.4940	0.000	1	110.6291	12.726	146	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	110.6369	3.578	145	110.6291	12.726	146	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH){1|H<1>,6|C<3>}	H(OC[6a])	109.4193	0.049	3	109.4193	0.002	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(OH){5|C<3>}	H(OC[6a])	110.6750	2.157	4	110.6750	4.654	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){1|H<1>,4|C<3>}	H(OC[6a])	111.0174	4.959	8	111.0174	24.593	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4730	0.021	2	109.4730	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4500	0.000	1	109.4500	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]Cl)(OH){1|C<3>,1|N<3>,1|O<1>}	H(OC[6a])	111.7775	0.965	2	111.7775	0.932	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.3860	0.000	1	109.3860	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,2|C<3>}	H(OC[6a])	114.8765	0.152	2	114.8765	0.023	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<2>}	H(OC[6a])	109.4920	0.000	1	109.4920	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[5,6a]H)(OH){3|C<3>}	H(OC[6a])	99.8466	0.000	1	99.8466	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]C)(OH){3|C<3>}	H(OC[6a])	109.9350	0.000	1	109.9350	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	106.5470	0.000	1	106.5470	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4690	0.045	3	109.4690	0.002	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	115.7180	0.000	1	108.2746	7.155	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.7295	0.630	2	108.2746	7.155	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.0943	2.569	64	108.2746	7.155	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4610	0.000	1	108.2746	7.155	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.4695	0.011	2	109.4823	0.001	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.5080	0.000	1	109.4823	0.001	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4750	0.018	2	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.5330	0.148	3	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	110.0708	1.672	21	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	111.0619	2.319	48	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>}	H(OC[6a])	110.0587	1.819	3	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	110.1569	2.246	74	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	112.5617	2.728	4	110.4648	4.909	155	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.4340	0.000	1	108.4340	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<2>}	H(OC[6a])	109.4562	0.038	4	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	108.1728	1.218	4	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|F<1>,1|N<2>}	H(OC[6a])	109.4640	0.000	1	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	111.8808	2.455	4	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|O<2>}	H(OC[6a])	109.4545	0.069	2	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	H(OC[6a])	110.1596	1.302	14	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	110.0684	3.949	29	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4240	0.000	1	110.0009	8.820	59	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4960	0.000	1	109.4960	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	H(OC[6a])	109.4870	0.000	1	109.4750	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4630	0.000	1	109.4750	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4565	0.018	2	109.4565	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]Br)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4010	0.000	1	109.4010	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.7106	2.543	13	108.7651	6.011	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(OH){1|S<4>,2|C<3>}	H(OC[6a])	109.4730	0.000	1	108.7651	6.011	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[5,6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4810	0.000	1	109.4810	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6,6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4740	0.000	1	109.4740	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.0760	1.716	6	109.3366	1.209	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.7530	0.375	2	109.3366	1.209	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4935	0.005	2	109.3366	1.209	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4513	0.055	3	109.3366	1.209	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(OH){3|C<3>}	H(OC[6a])	109.4100	0.000	1	109.3366	1.209	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.7394	0.772	8	109.6836	0.477	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4310	0.000	1	109.6836	0.477	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(OH){1|S<2>,2|C<3>}	H(OC[6a])	109.4900	0.000	1	109.6836	0.477	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]C)(OH){2|C<3>}	H(OC[6a])	109.4860	0.000	1	109.4860	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4740	0.000	1	109.4740	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.4585	0.012	2	108.7077	3.426	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.3323	2.268	4	108.7077	3.426	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.5810	0.000	1	109.5810	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4290	0.045	2	109.4290	0.002	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<2>,1|H<1>,3|C<3>}	H(OC[6a])	107.9030	0.000	1	107.7339	6.554	25	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	109.9228	0.962	5	107.7339	6.554	25	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.5300	0.000	1	107.7339	6.554	25	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	106.7575	2.710	6	107.7339	6.554	25	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|C<4>,3|C<3>}	H(OC[6a])	104.0340	0.588	2	107.7339	6.554	25	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	107.7688	2.499	10	107.7339	6.554	25	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Br<1>,1|H<1>,3|C<3>}	H(OC[6a])	109.4573	0.035	4	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Br<1>,4|C<3>}	H(OC[6a])	109.4320	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>}	H(OC[6a])	109.4760	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	H(OC[6a])	105.5010	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	110.3523	2.573	7	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|Cl<1>,1|H<1>,3|C<3>}	H(OC[6a])	109.5100	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(OC[6a])	101.4310	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|N<2>,3|C<3>}	H(OC[6a])	103.2460	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	109.3887	0.548	7	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,1|P<4>,3|C<3>}	H(OC[6a])	109.4250	0.031	2	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	111.9898	2.890	4	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	111.3400	5.198	23	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	108.4643	3.854	37	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	108.5850	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){1|O<2>,4|C<3>}	H(OC[6a])	109.4730	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|Br<1>,3|C<3>}	H(OC[6a])	109.5040	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.6148	2.860	89	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OH){2|O<2>,3|C<3>}	H(OC[6a])	109.9060	0.000	1	109.5552	12.004	183	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4540	0.033	3	109.4540	0.001	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<2>}	H(OC[6a])	105.3910	0.000	1	108.6245	4.170	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4790	0.047	2	108.6245	4.170	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	112.0800	0.000	1	108.6245	4.170	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){1|O<2>,4|C<3>}	H(OC[6a])	107.8200	0.000	1	108.6245	4.170	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(OH){2|H<1>,3|C<3>}	H(OC[6a])	108.4636	1.879	7	108.6245	4.170	12	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|H<1>,6|C<3>}	H(OC[6a])	110.7248	1.817	4	110.1027	3.203	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){1|N<2>,2|H<1>,4|C<3>}	H(OC[6a])	109.4220	0.000	1	110.1027	3.203	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(OH){2|H<1>,5|C<3>}	H(OC[6a])	109.9637	1.877	13	110.1027	3.203	18	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4463	0.049	3	109.4463	0.002	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){1|H<1>,1|O<2>,3|C<3>}	H(OC[6a])	112.1987	5.478	4	111.6566	23.978	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4880	0.000	1	111.6566	23.978	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|Br<1>,2|C<3>}	H(OC[6a])	109.5733	0.382	7	112.7840	93.780	170	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4580	0.000	1	112.7840	93.780	170	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4470	0.000	1	112.7840	93.780	170	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.4270	0.000	1	112.7840	93.780	170	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	121.8966	13.935	49	112.7840	93.780	170	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.0540	2.710	111	112.7840	93.780	170	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.5505	0.151	2	110.6989	9.329	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.4405	0.028	2	110.6989	9.329	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Cl)(OH){1|H<1>,2|C<3>}	H(OC[6a])	112.3033	4.606	3	110.6989	9.329	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.4900	0.000	1	110.7605	10.653	30	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	110.3427	3.022	15	110.7605	10.653	30	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	111.2963	3.961	10	110.7605	10.653	30	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4780	0.068	2	110.7605	10.653	30	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	113.1330	4.272	2	110.7605	10.653	30	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	H(OC[6a])	107.4820	0.000	1	107.4820	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	103.2540	0.000	1	109.3875	11.385	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	109.4520	0.000	1	109.3875	11.385	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	115.7190	0.000	1	109.3875	11.385	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	108.4228	1.365	5	109.3875	11.385	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	111.6415	3.724	2	109.3875	11.385	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(OH){2|Br<1>,1|C<3>}	H(OC[6a])	109.4400	0.000	1	109.3875	11.385	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4870	0.000	1	109.4870	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	108.9705	0.682	2	112.4203	28.317	46	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.5990	2.933	3	112.4203	28.317	46	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	113.1533	5.663	37	112.4203	28.317	46	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.5330	0.042	2	112.4203	28.317	46	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)2(OH){2|Br<1>,1|C<3>}	H(OC[6a])	109.4280	0.055	2	112.4203	28.317	46	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,1|F<1>,1|H<1>}	H(OC[6a])	109.4640	0.000	1	109.0387	3.804	22	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|F<1>}	H(OC[6a])	103.9450	0.000	1	109.0387	3.804	22	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.2722	1.665	20	109.0387	3.804	22	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Br<1>,1|C<3>,1|H<1>}	H(OC[6a])	102.1220	0.174	2	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,1|C<3>,1|H<1>}	H(OC[6a])	105.7555	0.581	2	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<2>,2|C<3>}	H(OC[6a])	112.2070	0.000	1	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	108.9965	2.741	94	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	108.9800	1.910	46	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	H(OC[6a])	108.2204	2.085	13	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<2>}	H(OC[6a])	109.5140	0.000	1	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	106.4607	4.413	110	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<4>}	H(OC[6a])	108.6210	3.277	3	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.1049	2.694	670	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>}	H(OC[6a])	112.1530	0.000	1	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>}	H(OC[6a])	95.8143	0.000	1	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>}	H(OC[6a])	108.0333	2.693	10	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	108.3128	3.730	2187	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>}	H(OC[6a])	108.0206	2.892	57	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>}	H(OC[6a])	107.8939	3.272	9	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	107.4967	4.406	6	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,1|O<1>}	H(OC[6a])	109.4740	0.011	4	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.3740	2.280	27	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.2828	1.932	22	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){2|Cl<1>,1|C<3>}	H(OC[6a])	106.8610	0.000	1	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OH){3|C<3>}	H(OC[6a])	105.8006	4.018	10	108.4268	12.393	3277	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.5523	3.230	33	109.2134	14.023	34	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|O<2>}	H(OC[6a])	98.0307	0.000	1	109.2134	14.023	34	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.9140	0.905	4	108.0310	15.030	64	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	H(OC[6a])	107.9055	3.969	60	108.0310	15.030	64	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	108.6760	0.000	1	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.2914	1.899	126	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	H(OC[6a])	104.6521	2.311	10	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	108.1852	3.176	323	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,1|N<2>,1|O<2>}	H(OC[6a])	109.5360	0.000	1	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	108.2640	0.000	1	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	107.5901	3.359	35	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	106.7678	5.066	6	108.3375	9.070	503	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	H(OC[6a])	104.5317	7.974	10	104.5317	63.587	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.4600	0.000	1	108.2838	2.599	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	H(OC[6a])	107.8399	1.699	8	108.2838	2.599	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OH){1|N<2>,2|C<3>}	H(OC[6a])	109.4715	0.043	2	108.2838	2.599	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>}	H(OC[6a])	107.1754	2.279	8	108.0135	7.292	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	H(OC[6a])	111.3660	1.086	2	108.0135	7.292	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(OH){1|C<3>,1|C<4>}	H(OC[6a])	109.2130	0.000	1	109.2130	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.6030	1.440	4	110.6030	2.074	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	108.4233	2.504	7	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|N<2>}	H(OC[6a])	109.5160	0.000	1	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	105.0902	3.424	4	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	110.6402	2.784	85	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|C<4>}	H(OC[6a])	113.3270	14.012	2	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	110.2406	5.102	917	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<3>,2|O<2>}	H(OC[6a])	108.4764	4.026	41	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|N<2>,1|O<2>}	H(OC[6a])	104.3850	0.000	1	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	H(OC[6a])	110.5543	2.877	7	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|C<4>,2|C<3>}	H(OC[6a])	109.4655	0.013	2	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|H<1>,2|C<3>}	H(OC[6a])	106.5431	1.767	7	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4500	0.000	1	110.1493	24.109	1075	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	110.4493	2.958	3	110.4493	8.752	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	109.6550	0.000	1	109.6550	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	106.7270	0.000	1	108.1155	3.856	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OH){1|H<1>,1|N<3>,3|C<3>}	H(OC[6a])	109.5040	0.000	1	108.1155	3.856	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(OC[6a])	109.4908	0.045	5	109.4823	0.002	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4510	0.000	1	109.4823	0.002	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[5,6a]H)(OH){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	109.4710	0.000	1	109.4823	0.002	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Br)(OH){1|S<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4480	0.000	1	109.4480	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6a])	105.6667	2.147	3	109.9640	61.564	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.3910	0.000	1	109.9640	61.564	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[6a])	123.4290	0.000	1	109.9640	61.564	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	H(OC[6a])	104.9640	0.000	1	104.9640	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(OC[6a])	108.2668	0.843	4	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(OC[6a])	109.4243	0.018	4	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	H(OC[6a])	106.9250	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6a])	109.6022	1.662	5	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	110.5200	1.655	5	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	H(OC[6a])	109.4450	0.017	2	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(OC[6a])	109.4320	0.049	2	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(OC[6a])	111.8795	5.110	2	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6a])	108.5330	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6a])	109.3920	0.179	3	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	H(OC[6a])	109.4730	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(OC[6a])	109.4870	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4770	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	109.4543	0.035	10	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	H(OC[6a])	109.4682	0.045	4	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	109.4750	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<3>,2|O<2>,3|H<1>}	H(OC[6a])	109.4690	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	109.4930	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4720	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|H<1>,2|O<2>,3|C<3>}	H(OC[6a])	107.7480	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<2>,1|O<2>,3|C<3>}	H(OC[6a])	113.6930	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4810	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[6a])	109.4700	0.014	2	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	H(OC[6a])	114.1840	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,3|H<1>}	H(OC[6a])	109.4400	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(OC[6a])	120.4910	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|O<2>}	H(OC[6a])	109.4490	0.000	1	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	H(OC[6a])	108.7034	2.574	7	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	H(OC[6a])	113.9530	6.336	2	109.8168	5.392	68	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.4680	0.018	2	109.6301	0.228	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,2|N<3>}	H(OC[6a])	110.2065	0.981	2	109.6301	0.228	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]O)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.4644	0.051	5	109.6301	0.228	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	110.3370	0.000	1	110.3370	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	102.7438	2.691	4	106.1026	14.077	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|Mo<9>,2|C<4>,2|H<1>,3|C<3>}	H(OC[6a])	106.0090	0.000	1	106.1026	14.077	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,2|N<2>,3|C<3>}	H(OC[6a])	109.4770	0.000	1	106.1026	14.077	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	H(OC[6a])	109.4873	0.031	3	106.1026	14.077	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,2|S<2>,3|H<1>}	H(OC[6a])	109.5230	0.000	1	109.6303	4.921	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	112.4860	0.000	1	109.6303	4.921	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){3|C<3>,3|H<1>}	H(OC[6a])	108.2560	1.679	2	109.6303	4.921	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(OC[6a])	109.4920	0.006	2	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6a])	109.5070	0.000	1	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,2|N<3>,3|H<1>}	H(OC[6a])	109.4670	0.000	1	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	109.4685	0.015	2	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|N<4>,2|C<3>,3|H<1>}	H(OC[6a])	99.9392	0.000	1	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	H(OC[6a])	108.3160	0.000	1	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	114.0580	0.000	1	108.8009	13.649	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	H(OC[6a])	109.4480	0.000	1	109.4480	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(OC[6a])	112.0103	4.398	3	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(OC[6a])	105.4135	0.322	2	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(OC[6a])	107.8167	4.250	15	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(OC[6a])	110.8360	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(OC[6a])	109.8750	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(OC[6a])	109.4670	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.4090	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(OC[6a])	109.5090	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(OC[6a])	104.3530	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(OC[6a])	113.2260	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	110.3015	1.095	2	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	H(OC[6a])	110.4740	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	H(OC[6a])	111.1882	3.757	5	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	H(OC[6a])	109.4725	0.021	2	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	H(OC[6a])	109.4607	0.035	3	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|N<3>}	H(OC[6a])	109.4610	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	H(OC[6a])	107.8279	3.093	10	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|S<2>,3|H<1>}	H(OC[6a])	114.2420	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	H(OC[6a])	109.0108	0.862	4	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	H(OC[6a])	109.4730	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|Fe<11>,1|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4680	0.000	1	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(OC[6a])	109.3130	1.903	4	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	H(OC[6a])	109.4695	0.004	2	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	H(OC[6a])	114.1808	3.847	4	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	H(OC[6a])	107.6205	3.319	6	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	107.9849	2.108	10	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.9700	0.984	4	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	108.4205	1.902	11	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	H(OC[6a])	110.5757	2.756	3	109.0668	9.675	102	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4630	0.000	1	109.4630	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(OC[6a])	109.4760	0.000	1	111.1802	5.641	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	H(OC[6a])	110.6298	2.314	4	111.1802	5.641	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6a])	113.5640	3.844	2	111.1802	5.641	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,2|O<2>,3|C<3>}	H(OC[6a])	112.4450	1.062	2	111.1802	5.641	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.5870	0.000	1	111.1802	5.641	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){2|O<2>,3|C<3>}	H(OC[6a])	109.3820	0.000	1	111.1802	5.641	11	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])2(OH){2|H<1>,2|N<3>,3|C<3>}	H(OC[6a])	116.9800	0.000	1	116.9800	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){1|Cl<1>,1|H<1>,3|C<3>}	H(OC[6a])	109.4400	0.000	1	109.4918	0.002	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.5022	0.048	5	109.4918	0.002	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	H(OC[6a])	108.2107	2.457	103	108.2347	8.432	118	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>}	H(OC[6a])	105.2740	0.000	1	108.2347	8.432	118	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	H(OC[6a])	112.9317	3.241	7	108.2347	8.432	118	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	103.7156	2.642	5	108.2347	8.432	118	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	106.9760	0.000	1	108.2347	8.432	118	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OH){2|Cl<1>,1|C<3>}	H(OC[6a])	104.6360	0.000	1	108.2347	8.432	118	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	112.3440	0.168	2	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	107.6430	4.342	8	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.7821	2.063	64	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	110.5579	1.768	16	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	110.5462	4.023	13	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|Cl<1>,2|C<3>}	H(OC[6a])	109.4980	0.000	1	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.0865	0.766	4	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.4595	0.029	2	109.8425	6.530	110	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	H(OC[6a])	103.6354	12.129	3	105.9734	83.802	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|N<3>}	H(OC[6a])	109.4805	0.040	2	105.9734	83.802	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.4495	0.018	2	109.1060	2.253	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|N<3>}	H(OC[6a])	109.5090	0.000	1	109.1060	2.253	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|O<2>}	H(OC[6a])	104.6750	0.000	1	109.1060	2.253	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	110.1820	1.670	2	109.1060	2.253	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OH){2|Cl<1>,1|C<3>}	H(OC[6a])	109.2759	0.533	7	109.1060	2.253	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(OH){2|Cl<1>,1|C<3>}	H(OC[6a])	108.8580	0.000	1	108.8580	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.4630	0.000	1	115.6935	49.743	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	113.4159	4.610	7	115.6935	49.743	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){1|Cl<1>,1|C<3>,1|S<4>}	H(OC[6a])	110.4780	0.000	1	115.6935	49.743	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(OH){2|Cl<1>,1|C<3>}	H(OC[6a])	116.9385	7.648	22	115.6935	49.743	31	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	108.6040	0.742	2	108.6040	0.551	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH){1|C<3>,1|F<1>,1|P<3>}	H(OC[6a])	107.1190	0.000	1	107.1190	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|C<3>,2|F<1>}	H(OC[6a])	111.5491	4.569	63	111.5164	20.609	64	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(OH){1|F<1>,2|C<3>}	H(OC[6a])	109.4600	0.000	1	111.5164	20.609	64	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4679	0.027	12	109.1814	1.148	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	H(OC[6a])	107.4620	2.831	2	109.1814	1.148	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<2>,1|C<3>,1|H<1>}	H(OC[6a])	109.4760	0.000	1	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.2578	1.850	6	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	108.6950	4.176	10	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.0986	2.489	50	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.5913	3.185	217	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.6328	1.478	6	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.4530	0.047	2	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.6666	5.137	17	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OH){1|N<3>,2|C<3>}	H(OC[6a])	103.6750	0.000	1	109.4062	10.231	310	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Br<1>,1|C<3>,1|H<1>}	H(OC[6a])	105.5335	5.536	2	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.8140	1.687	56	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<3>}	H(OC[6a])	109.4340	0.000	1	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	110.5138	2.748	25	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|I<1>}	H(OC[6a])	109.4690	0.000	1	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	110.6584	3.660	7	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	110.0041	2.623	83	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	110.5977	2.034	3	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.5150	1.194	3	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	110.2257	2.752	466	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|O<2>}	H(OC[6a])	110.3283	0.705	3	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<3>,2|S<4>}	H(OC[6a])	109.4890	0.000	1	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>}	H(OC[6a])	111.3650	0.000	1	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.4680	0.000	1	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.6122	2.208	269	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|N<3>,2|C<3>}	H(OC[6a])	113.0445	5.733	2	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>}	H(OC[6a])	110.1492	2.785	258	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OH){1|S<4>,2|C<3>}	H(OC[6a])	108.5960	1.284	2	110.0352	6.786	1184	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|Br<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.5215	0.005	2	109.7683	0.981	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.5370	0.000	1	109.7683	0.981	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.8287	1.109	12	109.7683	0.981	15	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.5180	0.000	1	109.9782	23.313	47	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4665	0.097	2	109.9782	23.313	47	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<3>}	H(OC[6a])	112.0590	3.186	6	109.9782	23.313	47	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,1|H<1>,1|S<4>}	H(OC[6a])	106.1980	0.000	1	109.9782	23.313	47	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	H(OC[6a])	108.7932	5.702	25	109.9782	23.313	47	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OH){1|H<1>,2|C<3>}	H(OC[6a])	111.8453	3.349	12	109.9782	23.313	47	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>}	H(OC[6a])	108.8718	1.592	9	108.8718	2.536	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OH){2|C<3>}	H(OC[6a])	108.0000	0.000	1	108.0000	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH){1|C<3>,1|H<1>}	H(OC[6a])	93.7509	0.000	1	93.7509	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OH){1|C<3>,1|H<1>}	H(OC[6a])	110.0400	3.550	9	110.0400	12.600	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	110.8280	0.000	1	110.8280	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|B<3>,1|C<3>,1|H<1>}	H(OC[6a])	107.1130	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Br<1>,1|C<3>,1|H<1>}	H(OC[6a])	114.4370	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<2>,1|C<3>,1|H<1>}	H(OC[6a])	113.0641	3.345	7	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<2>,2|C<3>}	H(OC[6a])	109.4230	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.3719	2.315	78	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|N<3>}	H(OC[6a])	108.5840	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	109.9537	1.763	167	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|F<1>,1|H<1>}	H(OC[6a])	109.9130	0.758	3	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|I<1>}	H(OC[6a])	110.5803	2.252	4	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	110.7330	2.833	45	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|N<4>}	H(OC[6a])	109.2480	0.455	5	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.8519	1.996	253	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|O<3>}	H(OC[6a])	110.6022	2.748	5	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<2>}	H(OC[6a])	111.0800	0.902	2	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|H<1>,1|S<4>}	H(OC[6a])	107.5860	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|I<1>,1|O<2>}	H(OC[6a])	109.4668	0.050	5	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,1|N<3>,1|O<2>}	H(OC[6a])	101.6270	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.7238	1.233	29	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|F<1>}	H(OC[6a])	109.5820	0.520	3	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.9808	3.037	1942	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<3>,2|O<2>}	H(OC[6a])	110.0019	4.368	134	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<4>,1|N<3>,1|O<1>}	H(OC[6a])	109.5110	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|C<4>,2|C<3>}	H(OC[6a])	108.3965	2.894	4	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Cl<1>,1|C<3>,1|H<1>}	H(OC[6a])	109.5399	3.980	10	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,1|N<3>,1|O<1>}	H(OC[6a])	108.0060	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.9811	2.611	221	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|C<2>}	H(OC[6a])	113.5980	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|C<3>}	H(OC[6a])	110.4997	1.785	3	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|N<2>,2|H<1>}	H(OC[6a])	109.4450	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|O<2>,2|C<3>}	H(OC[6a])	109.8385	2.157	237	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Pd<4>,1|C<3>,1|H<1>}	H(OC[6a])	109.4255	0.036	2	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Rh<8>,1|C<3>,1|H<1>}	H(OC[6a])	109.4940	0.000	1	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){1|Si<4>,1|C<3>,1|H<1>}	H(OC[6a])	109.4330	0.000	2	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){2|Br<1>,1|C<3>}	H(OC[6a])	109.8955	0.572	2	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){2|Cl<1>,1|C<3>}	H(OC[6a])	109.5248	0.747	28	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(OH){3|C<3>}	H(OC[6a])	109.6166	1.180	24	109.9704	8.053	3226	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4670	0.035	2	109.4670	0.001	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4773	0.021	3	109.4895	0.001	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]I)2(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.5260	0.000	1	109.4895	0.001	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	110.2485	2.351	2	108.7588	21.870	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,1|N<4>,1|O<2>}	H(OC[6a])	114.8795	0.801	2	108.7588	21.870	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	105.7146	3.282	5	108.7588	21.870	9	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.5220	0.000	1	109.5220	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	110.4551	7.610	27	109.9835	49.090	33	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|C<3>,2|O<2>}	H(OC[6a])	108.5862	2.035	5	109.9835	49.090	33	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(OH){1|Cl<1>,1|C<3>,1|N<3>}	H(OC[6a])	104.2370	0.000	1	109.9835	49.090	33	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(OC[6a])	109.5050	0.000	1	108.8856	0.731	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	107.5920	0.000	1	108.8856	0.731	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.1103	0.597	3	108.8856	0.731	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	H(OC[6a])	110.4920	0.000	1	109.8434	1.551	16	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6a])	110.6312	2.392	4	109.8434	1.551	16	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,3|C<3>}	H(OC[6a])	109.4720	0.000	1	109.8434	1.551	16	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|N<3>}	H(OC[6a])	109.5610	0.000	1	109.8434	1.551	16	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4800	0.000	1	109.8434	1.551	16	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4955	0.519	8	109.8434	1.551	16	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	H(OC[6a])	112.0944	5.907	9	111.8336	31.701	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|N<2>,3|C<3>}	H(OC[6a])	109.4860	0.000	1	111.8336	31.701	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH){1|C<3>,2|N<2>,2|S<2>,3|H<1>}	H(OC[6a])	109.4930	0.000	1	109.4930	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	H(OC[6a])	112.6037	5.432	3	108.9650	20.681	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	105.4170	0.000	1	108.9650	20.681	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(OC[6a])	109.5150	0.000	1	108.9650	20.681	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	H(OC[6a])	109.2317	0.823	6	108.9650	20.681	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|Cl<1>,3|C<3>}	H(OC[6a])	96.7749	0.000	1	108.9650	20.681	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	110.3010	1.120	2	108.9650	20.681	14	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|B<4>,2|C<3>,2|H<1>}	H(OC[6a])	109.5000	0.018	2	109.4733	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(OC[6a])	109.4990	0.000	1	109.4733	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,2|H<1>}	H(OC[6a])	109.4520	0.021	5	109.4733	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6a])	109.4760	0.055	3	109.4733	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4790	0.000	1	109.4733	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4870	0.000	1	109.4733	0.001	13	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(OH){4|C<3>}	H(OC[6a])	106.7990	0.000	1	106.7990	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|C<4>,4|C<3>}	H(OC[6a])	109.4783	0.022	3	109.4752	0.000	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(OH){1|H<1>,4|C<3>}	H(OC[6a])	109.4705	0.018	2	109.4752	0.000	5	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|H<1>,3|C<3>}	H(OC[6a])	109.4920	0.000	1	110.4655	2.324	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){1|N<2>,3|C<3>}	H(OC[6a])	109.4940	0.000	1	110.4655	2.324	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	H(OC[6a])	111.4380	1.786	2	110.4655	2.324	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]S)(OH){1|C<3>,2|H<1>}	H(OC[6a])	111.3870	3.395	3	111.3870	11.525	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	110.8799	4.037	16	110.5296	12.665	26	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|C<3>,1|H<1>,1|N<3>}	H(OC[6a])	114.3420	0.000	1	110.5296	12.665	26	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(OH){1|H<1>,2|C<3>}	H(OC[6a])	109.4832	2.392	9	110.5296	12.665	26	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4660	0.000	1	109.4660	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|H<1>}	H(OC[6a])	111.6459	3.933	17	111.3880	13.488	20	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]C)(OH){1|C<3>,1|O<2>}	H(OC[6a])	109.9263	0.799	3	111.3880	13.488	20	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH){1|C<3>,1|H<1>}	H(OC[6a])	116.2400	0.000	1	111.2320	19.422	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(OH){1|C<3>,1|O<2>}	H(OC[6a])	108.7280	1.106	2	111.2320	19.422	3	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|Br<1>,1|C<3>,1|H<1>}	H(OC[6a])	101.8928	2.683	2	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,1|C<4>,1|H<1>}	H(OC[6a])	109.9765	7.622	2	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|C<4>}	H(OC[6a])	109.5284	1.121	62	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	110.3182	2.938	239	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|N<3>}	H(OC[6a])	105.2940	0.000	1	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|C<3>,2|O<2>}	H(OC[6a])	109.7933	2.025	3	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(OH){1|H<1>,2|C<3>}	H(OC[6a])	108.7838	3.365	18	110.0102	8.021	327	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6,6a]O)(OH){4|C<3>}	H(OC[6a])	109.4280	0.000	1	109.4280	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){1|N<2>,3|C<3>}	H(OC[6a])	102.8850	0.000	1	109.6274	9.207	61	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(OH){4|C<3>}	H(OC[6a])	109.7397	2.929	60	109.6274	9.207	61	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]P[6])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(OC[6a])	106.6490	0.000	1	106.6490	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	108.8515	1.018	2	108.8515	1.035	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]S)2(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.7185	4.219	44	109.7185	17.797	44	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4940	0.018	2	109.4940	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	H(OC[6a])	106.5170	0.000	1	109.0489	1.247	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	H(OC[6a])	109.4760	0.000	1	109.0489	1.247	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	H(OC[6a])	109.4698	0.031	5	109.0489	1.247	7	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OH){2|H<1>,3|C<3>}	H(OC[6a])	109.4980	0.016	2	109.4980	0.000	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4370	0.019	4	109.4370	0.000	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4900	0.024	4	109.4900	0.001	4	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	H(OC[6a])	113.0190	0.000	1	113.0190	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|C<4>}	H(OC[6a])	107.2125	5.070	4	108.1243	17.380	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>,1|H<1>}	H(OC[6a])	106.7460	3.943	2	108.1243	17.380	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]O)(OH){1|C<3>}	H(OC[6a])	111.3260	1.177	2	108.1243	17.380	8	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>}	H(OC[6a])	109.0435	1.403	8	109.1297	1.565	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>}	H(OC[6a])	109.4745	0.019	2	109.1297	1.565	10	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(OH){1|C<3>,2|H<1>}	H(OC[6a])	103.1330	0.000	1	103.1330	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(C[6a]S[6a]H)(OH){1|C<3>}	H(OC[6a])	109.0935	0.506	2	109.0935	0.256	2	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	H(OC[6a])	109.4622	0.096	6	109.4622	0.009	6	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(C[6a]C[6a]2)(H)	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH)	H(OC[6a])	O(C[6a]C[6a]2)(H)	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	H(OC[6a])	109.4530	0.000	1	109.4530	0.000	1	109.4514	13.410	13368	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH){1|C<3>,2|N<3>,2|O<1>}	H(OC[6a])	141.2030	0.000	1	141.2030	0.000	1	118.1732	183.222	5	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|O<1>}	H(OC[6a])	119.6320	0.000	1	119.6320	0.000	1	118.1732	183.222	5	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH){1|N<3>,2|O<1>}	H(OC[6a])	109.4860	0.000	1	109.4860	0.000	1	118.1732	183.222	5	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877
893	643	951	0:SP2_SP-NON_SP2	O	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-2:	O-2:	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH)	H(OC[6a])	O(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>}	H(OC[6a])	110.2725	0.278	2	110.2725	0.077	2	118.1732	183.222	5	109.3908	13.380	14839	109.3930	13.362	14877	109.3930	13.362	14877