893	818	945	0:SP2_SP2_SP3	O	C[5]	P	3:3:	3:2:2:	2:3:3:	C[5]-3:P-3:	N[5,6]-3:P[5]-2:O-2:	O-2:N-3:N-3:	O(C[5]N[5,6]P[5])(PNN)	C[5](N[5,6]C[5,6]C[6])(P[5]P[5])(OP)	P(OC[5])(NCC)2	O(C[5]N[5,6]P[5])(PNN)	C[5](N[5,6]C[5,6]C[6])(P[5]P[5])(OP){1|H<1>,2|C<3>}	P(OC[5])(NCC)2	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	2:2:2:	2:	C[5]-3:H-1:	C[5]-2:N[5]-2:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](C[5]S[5])(N[5]C[5])(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](C[5]S[5])(N[5]C[5])(OH){1|C<3>}	H(OC[5])	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	107.0170	0.000	1	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH)	H(OC[5])	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	H(OC[5])	109.5660	0.000	1	109.5660	0.000	1	110.4015	1.181	4	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(OH){1|C<3>,1|H<1>,2|C<4>}	H(OC[5])	111.2990	0.560	2	111.2990	0.314	2	110.4015	1.181	4	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(OC[5])	109.4420	0.000	1	109.4420	0.000	1	110.4015	1.181	4	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH)	H(OC[5])	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(OC[5])	109.5130	0.000	1	109.5130	0.000	1	110.3397	24.346	7	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	H(OC[5])	107.0630	4.183	3	107.0630	17.497	3	110.3397	24.346	7	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH)	H(OC[5])	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH){1|H<1>,1|O<1>,4|C<3>}	H(OC[5])	117.7420	0.000	1	117.7420	0.000	1	110.3397	24.346	7	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH){1|H<1>,4|C<3>}	H(OC[5])	114.9750	0.000	1	114.9750	0.000	1	110.3397	24.346	7	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH){1|H<1>,2|C<3>}	H(OC[5])	108.9590	0.000	1	108.9590	0.000	1	110.3397	24.346	7	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]C)(C[5]N[5]O)(OH){3|C<3>}	H(OC[5])	108.5360	0.000	1	108.5360	0.000	1	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.5010	0.130	2	109.5010	0.017	2	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]S)(OH){2|C<3>,2|H<1>}	H(OC[5])	110.6630	0.000	1	110.6630	0.000	1	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|C<3>,2|C<4>}	H(OC[5])	109.4980	0.000	1	109.7503	1.491	6	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){1|H<1>,3|C<4>}	H(OC[5])	109.4490	0.000	1	109.7503	1.491	6	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){2|C<4>,2|H<1>}	H(OC[5])	109.4200	0.000	1	109.7503	1.491	6	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(OH){4|H<1>}	H(OC[5])	110.0450	1.861	3	109.7503	1.491	6	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.4760	0.021	2	109.4760	0.000	2	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(OH){1|H<1>,2|C<3>}	H(OC[5])	108.9360	0.485	2	108.9360	0.235	2	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	109.4660	0.000	1	111.6222	5.895	4	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(OH){4|H<1>}	H(OC[5])	112.3410	2.396	3	111.6222	5.895	4	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]O)(C[5]O[5]O)(OH){1|C<4>,1|H<1>}	H(OC[5])	110.4115	1.832	15	110.4115	3.356	15	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]O)2(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]O)2(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(OC[5])	109.4720	0.000	1	109.4720	0.000	1	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4510	0.000	1	108.4319	29.351	9	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,3|C<3>}	H(OC[5])	109.4650	0.007	2	108.4319	29.351	9	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){2|C<3>,2|H<1>}	H(OC[5])	107.9176	6.783	6	108.4319	29.351	9	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(OH){1|C<3>,1|C<4>}	H(OC[5])	106.2940	0.000	1	106.2940	0.000	1	109.7185	8.167	45	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(OH){1|C<3>,1|O<1>}	H(OC[5])	109.4920	0.000	1	109.4920	0.000	1	110.1930	1.446	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|C<4>,1|H<1>}	H(OC[5])	109.4715	0.012	2	110.3987	2.579	3	110.1930	1.446	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]N[5]C)(OH){1|Re<6>,1|C<4>}	H(OC[5])	112.2530	0.000	1	110.3987	2.579	3	110.1930	1.446	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:N[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]S[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]S[5]C)(OH){1|H<1>}	H(OC[5])	110.2770	0.000	1	110.2770	0.000	1	110.1930	1.446	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){1|C<4>,1|H<1>,2|C<3>}	H(OC[5])	109.4760	0.000	1	109.4640	0.000	4	108.8914	1.639	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]C)(OH){2|C<3>,2|C<4>}	H(OC[5])	109.4600	0.014	3	109.4640	0.000	4	108.8914	1.639	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:C[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]O)(OH){2|C<3>,2|C<4>}	H(OC[5])	106.6010	0.000	1	106.6010	0.000	1	108.8914	1.639	5	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:O-2:	O-2:	O(C[5]N[5]2)(H)	C[5](N[5]C[5,5]H)2(OH)	H(OC[5])	O(C[5]N[5]2)(H)	C[5](N[5]C[5,5]H)2(OH){2|C<3>,2|N<3>}	H(OC[5])	109.4910	0.000	1	109.4910	0.000	1	109.4910	0.000	1	109.7945	8.032	67	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:4:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH){1|O<1>,2|C<3>}	H(OC[5])	109.4800	0.000	1	109.4800	0.000	1	109.8877	0.539	3	110.4787	1.757	4	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:4:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	H(OC[5])	110.0915	0.910	2	110.0915	0.828	2	109.8877	0.539	3	110.4787	1.757	4	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	3:4:2:	2:	C[5]-3:H-1:	N[5]-3:C[5]-4:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OH){2|C<4>,5|H<1>}	H(OC[5])	112.2520	0.000	1	112.2520	0.000	1	112.2520	0.000	1	110.4787	1.757	4	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH)	H(OC[5])	O(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(OC[5])	109.4300	0.000	1	109.4300	0.000	1	107.0340	11.482	2	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,5]C[5])(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]C)(OH){1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(OC[5])	104.6380	0.000	1	104.6380	0.000	1	107.0340	11.482	2	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(OC[5])	108.8500	0.000	1	108.8500	0.000	1	108.8500	0.000	1	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH){1|C<3>,1|C<4>,2|H<1>}	H(OC[5])	107.0065	2.312	6	106.3498	5.339	8	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OH){1|C<3>,3|C<4>}	H(OC[5])	104.3795	0.532	2	106.3498	5.339	8	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]FF)(C[5]C[5]C)(OH){1|C<3>,3|H<1>}	H(OC[5])	108.6950	0.000	1	108.6950	0.000	1	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(OH){1|O<1>,2|H<1>}	H(OC[5])	110.8130	2.195	9	110.8130	4.818	9	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH){1|H<1>,1|O<1>}	H(OC[5])	109.4625	0.046	2	109.4625	0.002	2	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH){1|O<1>}	H(OC[5])	107.8030	0.000	1	107.8030	0.000	1	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH){1|O<1>}	H(OC[5])	110.6766	2.455	14	110.6766	6.026	14	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH){1|O<1>}	H(OC[5])	115.6140	0.000	1	115.6140	0.000	1	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(C[5]C[5]2)(H)	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]2)(H)	C[5](C[5]S[5]HH)(C[5]C[5]C)(OH){1|O<1>}	H(OC[5])	111.2190	0.000	1	111.2190	0.000	1	109.7255	8.626	37	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:3:2:	2:	C[5]-3:H-1:	C[5]-4:N[5]-3:O-2:	O-2:	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH)	H(OC[5])	O(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(OH){4|H<1>}	H(OC[5])	110.0033	1.141	6	110.0033	1.303	6	110.0033	1.303	6	109.6257	7.640	46	109.5682	10.589	119	109.5682	10.589	119
893	818	951	0:SP2_SP-NON_SP2	O	C[5]	H	3:1:	4:4:2:	2:	C[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:	O-2:	O(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH)	H(OC[5])	O(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]O[5]HH)(OH){1|C<3>,1|N<3>,3|H<1>}	H(OC[5])	90.6764	0.000	1	90.6764	0.000	1	90.6764	0.000	1	90.6764	0.000	1	109.5682	10.589	119	109.5682	10.589	119
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	3:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5]2)(SCOO)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	S(OC[5])(CF3)(O)2	O(C[5]C[5]2)(SCOO)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){1|O<2>,2|C<3>,3|C<4>}	S(OC[5])(CF3)(O)2	117.8470	0.000	1	120.0303	3.575	3	120.0303	3.575	3	120.0303	3.575	3	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	3:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5]2)(SCOO)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	S(OC[5])(CF3)(O)2	O(C[5]C[5]2)(SCOO)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){2|O<2>,4|C<3>}	S(OC[5])(CF3)(O)2	121.1220	0.000	2	120.0303	3.575	3	120.0303	3.575	3	120.0303	3.575	3	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	S(C[6a]C[6a]2)(OC[5])(O)2	O(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(OC[5])(O)2	117.6960	0.000	1	118.0095	0.197	2	118.0095	0.197	2	118.0095	0.197	2	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	3:3:2:	3:2:1:1:	C[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS)	S(C[6a]C[6a]2)(OC[5])(O)2	O(C[5]C[5]2)(SC[6a]OO)	C[5](C[5]C[5]C)(C[5]N[5]O)(OS){1|C<4>,1|H<1>,1|O<2>}	S(C[6a]C[6a]2)(OC[5])(O)2	118.3230	0.000	1	118.0095	0.197	2	118.0095	0.197	2	118.0095	0.197	2	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,5]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]H)(OS)	S(OC[5])(CF3)(O)2	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]C[5,5]2H)(C[5]O[5]H)(OS){1|H<1>,4|C<4>}	S(OC[5])(CF3)(O)2	118.9990	0.000	1	118.9990	0.000	1	120.3826	4.012	5	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,5]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	S(OC[5])(CH3)(O)2	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	S(OC[5])(CH3)(O)2	121.5540	0.000	1	120.7285	4.552	4	120.3826	4.012	5	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,5]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	S(OC[5])(CH3)(O)2	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|S<3>,2|H<1>}	S(OC[5])(CH3)(O)2	121.7800	0.000	1	120.7285	4.552	4	120.3826	4.012	5	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,5]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	S(OC[5])(CH3)(O)2	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	S(OC[5])(CH3)(O)2	117.5420	0.000	1	120.7285	4.552	4	120.3826	4.012	5	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,5]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS)	S(OC[5])(CH3)(O)2	O(C[5]C[5,5]C[5])(SCOO)	C[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]H)(OS){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	S(OC[5])(CH3)(O)2	122.0380	0.000	1	120.7285	4.552	4	120.3826	4.012	5	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5,6]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5,6]C[5])(SCOO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS)	S(OC[5])(CF3)(O)2	O(C[5]C[5,6]C[5])(SCOO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS){2|C<4>,5|H<1>}	S(OC[5])(CF3)(O)2	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	952	0:SP2_SP2_SP3	O	C[5]	S	3:4:	4:3:2:	2:4:1:1:	C[5]-3:S-4:	C[5]-4:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(C[5]C[5]2)(SCOO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(OS)	S(OC[5])(CF3)(O)2	O(C[5]C[5]2)(SCOO)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(OS){2|C<4>,2|H<1>}	S(OC[5])(CF3)(O)2	121.3050	0.000	1	121.3050	0.000	1	121.3050	0.000	1	121.0381	4.556	7	120.2814	4.473	12	120.2814	4.473	12
893	818	984	0:SP2_SP-NON_SP2	O	C[5]	Ga	3:4:	3:3:2:	4:2:2:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:O-2:	Ga-4:O-2:O-2:I-1:	O(C[5]N[5]2)(GaGaIO)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa)	Ga(GaIOO)(OC[5])2(I)	O(C[5]N[5]2)(GaGaIO)	C[5](N[5]C[5,6a]B)(N[5]C[5,6a]C)(OGa){2|C<3>}	Ga(GaIOO)(OC[5])2(I)	130.8785	3.574	4	130.8785	12.775	4	130.8785	12.775	4	130.8785	12.775	4	130.8785	12.775	4	130.8785	12.775	4
893	846	880	0:SP2_SP2_SP3	O	C[4]	Si	3:4:	3:3:2:	2:4:4:4:	C[4]-3:Si-4:	P[4]-3:C[4]-3:O-2:	O-2:C-4:C-4:C-4:	O(C[4]C[4]P[4])(SiC3)	C[4](P[4]C[4]P[4])(C[4]C[4]C)(OSi)	Si(OC[4])(CH3)3	O(C[4]C[4]P[4])(SiC3)	C[4](P[4]C[4]P[4])(C[4]C[4]C)(OSi){1|C<4>,2|C<3>}	Si(OC[4])(CH3)3	127.0225	1.372	2	127.0225	1.884	2	127.0225	1.884	2	127.0225	1.884	2	127.0225	1.884	2	127.0225	1.884	2
893	846	951	0:SP2_SP-NON_SP2	O	C[4]	H	3:1:	3:3:2:	2:	C[4]-3:H-1:	C[4]-3:C[4]-3:O-2:	O-2:	O(C[4]C[4]2)(H)	C[4](C[4]C[4]O)2(OH)	H(OC[4])	O(C[4]C[4]2)(H)	C[4](C[4]C[4]O)2(OH){1|O<1>}	H(OC[4])	111.6922	2.824	64	111.6922	7.974	64	111.6922	7.974	64	111.6922	7.974	64	111.6148	8.239	65	111.6148	8.239	65
893	846	951	0:SP2_SP-NON_SP2	O	C[4]	H	3:1:	4:3:2:	2:	C[4]-3:H-1:	P[4]-4:C[4]-3:O-2:	O-2:	O(C[4]C[4]P[4])(H)	C[4](P[4]C[4]HO)(C[4]C[4]C)(OH)	H(OC[4])	O(C[4]C[4]P[4])(H)	C[4](P[4]C[4]HO)(C[4]C[4]C)(OH){1|C<4>,1|H<1>}	H(OC[4])	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	111.6148	8.239	65	111.6148	8.239	65
893	849	849	0:SP3_SP3_SP3	O	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	N[6]-2:N[6]-2:O-2:Cl-1:	N[6]-2:N[6]-2:O-2:O-1:	O(P[6]N[6]2Cl)(P[6]N[6]2O)	P[6](N[6]P[6])2(OP[6])(Cl)	P[6](N[6]P[6])2(OP[6])(O)	O(P[6]N[6]2Cl)(P[6]N[6]2O)	P[6](N[6]P[6])2(OP[6])(Cl){2|Cl<1>,1|N<2>,1|O<1>,1|O<2>}	P[6](N[6]P[6])2(OP[6])(O){3|Cl<1>,1|N<2>,1|O<2>}	126.5860	0.000	1	126.5860	0.000	1	126.5860	0.000	1	134.1815	115.383	2	136.3106	33.004	5	136.3106	33.004	5
893	849	849	0:SP3_SP3_SP3	O	P[6]	P[6]	4:4:	2:2:2:1:	2:2:2:1:	P[6]-4:P[6]-4:	N[6]-2:N[6]-2:O-2:O-1:	N[6]-2:N[6]-2:O-2:O-1:	O(P[6]N[6]2O)2	P[6](N[6]C[6])2(OP[6])(O)	P[6](N[6]C[6])2(OP[6])(O)	O(P[6]N[6]2O)2	P[6](N[6]C[6])2(OP[6])(O){3|N<3>}	P[6](N[6]C[6])2(OP[6])(O){3|N<3>}	141.7770	0.000	1	141.7770	0.000	1	141.7770	0.000	1	134.1815	115.383	2	136.3106	33.004	5	136.3106	33.004	5
893	849	849	0:SP3_SP3_SP3	O	P[6]	P[6]	4:4:	2:2:2:3:	2:2:2:2:	P[6]-4:P[6]-4:	N[6]-2:N[6]-2:O-2:N-3:	N[6]-2:N[6]-2:O-2:N-2:	O(P[6]N[6]2N)2	P[6](N[6]P[6])2(OP[6])(NCH)	P[6](N[6]P[6])2(OP[6])(NC)	O(P[6]N[6]2N)2	P[6](N[6]P[6])2(OP[6])(NCH){4|Cl<1>,1|N<2>}	P[6](N[6]P[6])2(OP[6])(NC){4|Cl<1>,1|N<2>}	138.7380	0.000	1	138.7380	0.000	1	138.7380	0.000	1	138.7380	0.000	1	136.3106	33.004	5	136.3106	33.004	5
893	849	849	0:SP3_SP3_SP3	O	P[6]	P[6]	4:4:	2:2:3:2:	2:2:3:2:	P[6]-4:P[6]-4:	N[6]-2:N[6]-2:N-3:O-2:	N[6]-2:N[6]-2:N-3:O-2:	O(P[6]N[6]2N)2	P[6](N[6]P[6])2(NC[6a]H)(OP[6])	P[6](N[6]P[6])2(NC[6a]H)(OP[6])	O(P[6]N[6]2N)2	P[6](N[6]P[6])2(NC[6a]H)(OP[6]){4|Cl<1>,1|N<2>}	P[6](N[6]P[6])2(NC[6a]H)(OP[6]){4|Cl<1>,1|N<2>}	137.2260	0.000	2	137.2260	0.000	2	137.2260	0.000	2	137.2260	0.000	2	136.3106	33.004	5	136.3106	33.004	5
893	849	930	0:SP2_SP2_SP3	O	P[6]	C	4:3:	2:2:2:1:	2:3:3:	P[6]-4:C-3:	O[6]-2:O[6]-2:O-2:O-1:	O-2:C-3:C-3:	O(P[6]O[6]2O)(CCC)	P[6](O[6]C[6])2(OC)(O)	C(OP[6])(CHH)(COO)	O(P[6]O[6]2O)(CCC)	P[6](O[6]C[6])2(OC)(O){1|C<3>,1|H<1>,3|C<4>}	C(OP[6])(CHH)(COO)	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	122.2904	11.011	5	122.2904	11.011	5
893	849	930	0:SP2_SP2_SP3	O	P[6]	C	4:3:	2:2:2:1:	3:2:1:	P[6]-4:C-3:	O[6]-2:O[6]-2:O-2:Se-1:	C[6a]-3:O-2:O-1:	O(P[6]O[6]2Se)(CC[6a]O)	P[6](O[6]C[6])2(OC)(Se)	C(C[6a]C[6a]2)(OP[6])(O)	O(P[6]O[6]2Se)(CC[6a]O)	P[6](O[6]C[6])2(OC)(Se){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(OP[6])(O)	121.4307	1.376	3	121.4307	1.894	3	121.4307	1.894	3	121.4307	1.894	3	122.2904	11.011	5	122.2904	11.011	5
893	849	930	0:SP2_SP2_SP3	O	P[6]	C	4:3:	2:2:2:1:	3:3:2:	P[6]-4:C-3:	O[6]-2:O[6]-2:O-2:O-1:	C[6a]-3:C-3:O-2:	O(P[6]O[6]2O)(CC[6a]C)	P[6](O[6]C[6])2(OC)(O)	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	O(P[6]O[6]2O)(CC[6a]C)	P[6](O[6]C[6])2(OC)(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	122.2904	11.011	5	122.2904	11.011	5
893	849	951	0:SP3_SP-NON_SP3	O	P[6]	H	4:1:	2:2:2:1:	2:	P[6]-4:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O-2:	O(P[6]O[6]2O)(H)	P[6](O[6]C[6])2(OH)(O)	H(OP[6])	O(P[6]O[6]2O)(H)	P[6](O[6]C[6])2(OH)(O){1|C<3>,1|C<4>,3|H<1>}	H(OP[6])	115.0120	0.000	1	112.2315	15.462	2	112.2315	15.462	2	112.2315	15.462	2	111.5807	9.002	3	111.5807	9.002	3
893	849	951	0:SP3_SP-NON_SP3	O	P[6]	H	4:1:	2:2:2:1:	2:	P[6]-4:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O-2:	O(P[6]O[6]2O)(H)	P[6](O[6]C[6])2(OH)(O)	H(OP[6])	O(P[6]O[6]2O)(H)	P[6](O[6]C[6])2(OH)(O){1|C<4>,4|H<1>}	H(OP[6])	109.4510	0.000	1	112.2315	15.462	2	112.2315	15.462	2	112.2315	15.462	2	111.5807	9.002	3	111.5807	9.002	3
893	849	951	0:SP3_SP-NON_SP3	O	P[6]	H	4:1:	4:4:2:1:	2:	P[6]-4:H-1:	C[6]-4:C[6]-4:O-2:O-1:	O-2:	O(P[6]C[6]2O)(H)	P[6](C[6]C[6a]O[6]H)2(OH)(O)	H(OP[6])	O(P[6]C[6]2O)(H)	P[6](C[6]C[6a]O[6]H)2(OH)(O){1|C<4>,4|C<3>}	H(OP[6])	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	111.5807	9.002	3	111.5807	9.002	3
893	854	951	0:SP3_SP-NON_SP3	O	N[3x6]	H	4:1:	4:4:4:2:	2:	N[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	O-2:	O(N[3x6]C[6,6]3)(H)	N[3x6](C[6,6]C[6,6]HH)3(OH)	H(ON[3x6])	O(N[3x6]C[6,6]3)(H)	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	H(ON[3x6])	109.4197	0.013	3	109.4197	0.000	3	109.4197	0.000	3	109.4197	0.000	3	109.4197	0.000	3	108.3330	3.562	6
893	854	951	0:SP3_SP-NON_SP3	O	N[6,6]	H	4:1:	4:4:4:2:	2:	N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(N[6,6]C[3x6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	H(ON[6,6])	O(N[6,6]C[3x6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	H(ON[6,6])	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	108.3330	3.562	6
893	854	951	0:SP3_SP-NON_SP3	O	N[6]	H	4:1:	4:4:2:1:	2:	N[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(N[6]C[6]2H)(H)	N[6](C[6]C[6]CC)2(OH)(H)	H(ON[6])	O(N[6]C[6]2H)(H)	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	H(ON[6])	107.4470	0.000	1	107.4470	0.000	1	106.1420	3.406	2	106.1420	3.406	2	106.1420	3.406	2	108.3330	3.562	6
893	854	951	0:SP3_SP-NON_SP3	O	N[6]	H	4:1:	4:4:2:1:	2:	N[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O-2:	O(N[6]C[6]2H)(H)	N[6](C[6]C[6]HH)2(OH)(H)	H(ON[6])	O(N[6]C[6]2H)(H)	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	H(ON[6])	104.8370	0.000	1	104.8370	0.000	1	106.1420	3.406	2	106.1420	3.406	2	106.1420	3.406	2	108.3330	3.562	6
893	854	984	0:SP3_SP-NON_SP3	O	N[6]	Ga	4:4:	4:4:4:2:	2:4:4:2:	N[6]-4:Ga-4:	Ga[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:C-4:O-2:	O(N[6]Ga[6]C[6]C)(GaCCO)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	Ga(ON[6])(CC3)2(ON)	O(N[6]Ga[6]C[6]C)(GaCCO)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	Ga(ON[6])(CC3)2(ON)	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1	126.1490	0.000	1
893	854	992	0:SP3_SP3_SP3	O	N[6]	P	4:4:	4:4:4:2:	2:2:1:1:	N[6]-4:P-4:	C[6]-4:C[6]-4:C-4:O-2:	O-2:O-2:O-1:O-1:	O(N[6]C[6]2C)(PO3)	N[6](C[6]C[6]HH)2(CH3)(OP)	P(OC[6a])(ON[6])(O)2	O(N[6]C[6]2C)(PO3)	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	P(OC[6a])(ON[6])(O)2	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1
893	855	855	0:SP3_SPD6_SPD6	O	Si[4x6]	Si[4x6]	6:6:	3:3:3:3:2:2:	3:3:3:3:2:2:	Si[4x6]-6:Si[4x6]-6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2: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)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	178.8777	0.923	4	178.8777	0.853	4	178.9980	0.712	5	178.9980	0.712	5	178.9980	0.712	5	178.9980	0.712	5
893	855	855	0:SP3_SPD6_SPD6	O	Si[4x6]	Si[4x6]	6:6:	3:3:3:3:2:2:	3:3:3:3:2:2:	Si[4x6]-6:Si[4x6]-6:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2: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)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2	O(Si[4x6]N[5a,6,6]4O)2	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])2{4|N<2>,8|C<3>}	179.4790	0.000	1	179.4790	0.000	1	178.9980	0.712	5	178.9980	0.712	5	178.9980	0.712	5	178.9980	0.712	5
893	855	880	0:SP3_SP3_SPD6	O	Si[4x6]	Si	6:4:	3:3:3:3:2:2:	2:4:2:2:	Si[4x6]-6:Si-4:	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-2:C-4:O-2:O-2:	O(Si[4x6]N[5a,6,6]4O)(SiCOO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	Si(OSi[4x6])(CH3)(OSi)2	O(Si[4x6]N[5a,6,6]4O)(SiCOO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	Si(OSi[4x6])(CH3)(OSi)2	155.2910	0.000	1	155.2910	0.000	1	155.2910	0.000	1	155.2910	0.000	1	159.1840	15.899	8	159.1840	15.899	8
893	855	880	0:SP3_SP3_SPD6	O	Si[4x6]	Si	6:4:	3:3:3:3:2:2:	2:4:4:4:	Si[4x6]-6:Si-4:	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-2:C-4:C-4:C-4:	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2	Si(OSi[4x6])(CCHH)3	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi)2{4|N<2>,8|C<3>}	Si(OSi[4x6])(CCHH)3	165.7150	0.000	1	165.7150	0.000	1	159.7401	15.662	7	159.7401	15.662	7	159.1840	15.899	8	159.1840	15.899	8
893	855	880	0:SP3_SP3_SPD6	O	Si[4x6]	Si	6:4:	3:3:3:3:2:2:	2:4:4:4:	Si[4x6]-6:Si-4:	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-2:C-4:C-4:C-4:	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	Si(OSi[4x6])(CCHH)(CH3)2	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	Si(OSi[4x6])(CCHH)(CH3)2	152.7310	0.000	1	152.7310	0.000	1	159.7401	15.662	7	159.7401	15.662	7	159.1840	15.899	8	159.1840	15.899	8
893	855	880	0:SP3_SP3_SPD6	O	Si[4x6]	Si	6:4:	3:3:3:3:2:2:	2:4:4:4:	Si[4x6]-6:Si-4:	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-2:C-4:C-4:C-4:	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi)	Si(OSi[4x6])(CCHH)3	O(Si[4x6]N[5a,6,6]4O)(SiC3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OSi[4x6])(OSi){4|N<2>,8|C<3>}	Si(OSi[4x6])(CCHH)3	159.9470	1.494	5	159.9470	2.232	5	159.7401	15.662	7	159.7401	15.662	7	159.1840	15.899	8	159.1840	15.899	8
893	855	930	0:SP2_SP2_SPD6	O	Si[4x6]	C	6:3:	3:3:3:3:2:2:	2:4:1:	Si[4x6]-6:C-3:	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-2:C-4:O-1:	O(Si[4x6]N[5a,6,6]4O)(CCO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	C(OSi[4x6])(CCHH)(O)	O(Si[4x6]N[5a,6,6]4O)(CCO)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	C(OSi[4x6])(CCHH)(O)	135.4060	0.000	1	135.4060	0.000	1	135.4060	0.000	1	135.4060	0.000	1	133.7884	3.202	5	133.7884	3.202	5
893	855	930	0:SP2_SP2_SPD6	O	Si[4x6]	C	6:3:	3:3:3:3:2:2:	3:2:1:	Si[4x6]-6:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	C[6a]-3:O-2:O-1:	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	C(C[6a]C[6a,6a]2)(OSi[4x6])(O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	C(C[6a]C[6a,6a]2)(OSi[4x6])(O)	134.9660	0.000	1	134.9660	0.000	1	133.3840	3.179	4	133.3840	3.179	4	133.7884	3.202	5	133.7884	3.202	5
893	855	930	0:SP2_SP2_SPD6	O	Si[4x6]	C	6:3:	3:3:3:3:2:2:	3:2:1:	Si[4x6]-6:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	C[6a]-3:O-2:O-1:	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	C(C[6a]C[6a]2)(OSi[4x6])(O)	O(Si[4x6]N[5a,6,6]4O)(CC[6a]O)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	C(C[6a]C[6a]2)(OSi[4x6])(O)	132.8567	1.761	3	132.8567	3.100	3	133.3840	3.179	4	133.3840	3.179	4	133.7884	3.202	5	133.7884	3.202	5
893	856	880	0:SP3_SP2_SP3	O	N[6]	Si	3:4:	3:2:2:	2:4:4:4:	N[6]-3:Si-4:	C[6]-3:O[6]-2:O-2:	O-2:C-4:C-4:C-4:	O(N[6]C[6]O[6])(SiC3)	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	Si(ON[6])(CH3)3	O(N[6]C[6]O[6])(SiC3)	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Si(ON[6])(CH3)3	113.8500	0.000	2	113.8500	0.000	2	113.8500	0.000	2	113.8500	0.000	2	113.8500	0.000	2	113.8500	0.000	2
893	856	911	0:SP3_SP2_SPD6	O	N[6]	Si	3:6:	3:3:2:	2:2:1:1:1:1:	N[6]-3:Si-6:	C[6]-3:C[6]-3:O-2:	O-2:O-2:F-1:F-1:F-1:F-1:	O(N[6]C[6]2)(SiF4O)	N[6](C[6]C[6]H)2(OSi)	Si(ON[6])2(F)4	O(N[6]C[6]2)(SiF4O)	N[6](C[6]C[6]H)2(OSi){1|C<3>,2|H<1>}	Si(ON[6])2(F)4	118.5255	2.920	2	118.5255	8.524	2	118.5255	8.524	2	118.5255	8.524	2	118.5255	8.524	2	118.5255	8.524	2
893	856	927	0:SP2_SP2_SP2	O	N[6]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-3:O-2:	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	N[6](C[6]C[6]H)2(OB[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6])	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	N[6](C[6]C[6]H)2(OB[6a]){1|C<3>,2|H<1>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6]){1|C<3>,2|H<1>}	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1
893	856	930	0:SP2_SP2_SP2	O	N[6]	C	3:3:	3:3:2:	2:3:1:	N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	O-2:N-3:O-1:	O(N[6]C[6]2)(CNO)	N[6](C[6]C[6]H)2(OC)	C(ON[6])(NCC)(O)	O(N[6]C[6]2)(CNO)	N[6](C[6]C[6]H)2(OC){1|C<3>,2|H<1>}	C(ON[6])(NCC)(O)	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	109.6120	0.000	1	113.6762	5.322	6	113.6762	5.322	6
893	856	930	0:SP2_SP2_SP2	O	N[6]	C	3:3:	4:4:2:	2:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	N-2:O-2:O-1:	O(N[6]C[6]2)(CNO)	N[6](C[6]C[6]CC)2(OC)	C(NC[6])(ON[6])(O)	O(N[6]C[6]2)(CNO)	N[6](C[6]C[6]CC)2(OC){1|C<2>}	C(NC[6])(ON[6])(O)	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	115.9240	0.000	1	113.6762	5.322	6	113.6762	5.322	6
893	856	930	0:SP2_SP2_SP2	O	N[6]	C	3:3:	4:4:2:	2:3:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	O-2:C-3:O-1:	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC)	C(ON[6])(CCC)(O)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(ON[6])(CCC)(O)	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	113.6762	5.322	6	113.6762	5.322	6
893	856	930	0:SP2_SP2_SP2	O	N[6]	C	3:3:	4:4:2:	3:3:2:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	C-3:C[6a]-3:O-2:	O(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]CC)2(OC)	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	O(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	113.6762	5.322	6	113.6762	5.322	6
893	856	930	0:SP2_SP2_SP2	O	N[6]	C	3:3:	4:4:2:	4:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	C-4:O-2:O-1:	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC)	C(CC[6a]2O)(ON[6])(O)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(CC[6a]2O)(ON[6])(O)	112.8770	0.000	1	112.8770	0.000	1	113.2500	0.278	2	113.2500	0.278	2	113.6762	5.322	6	113.6762	5.322	6
893	856	930	0:SP2_SP2_SP2	O	N[6]	C	3:3:	4:4:2:	4:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	C-4:O-2:O-1:	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC)	C(CC[6a]HO)(ON[6])(O)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(CC[6a]HO)(ON[6])(O)	113.6230	0.000	1	113.6230	0.000	1	113.2500	0.278	2	113.2500	0.278	2	113.6762	5.322	6	113.6762	5.322	6
893	856	930	0:SP2_SP2_SP3	O	N[6]	C	3:3:	4:4:2:	2:3:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	O-2:C-3:O-1:	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC)	C(ON[6])(CCC)(O)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(ON[6])(CCC)(O)	114.7560	0.000	1	114.7560	0.000	1	115.1730	0.348	2	115.1730	0.348	2	114.4696	2.598	10	114.4696	2.598	10
893	856	930	0:SP2_SP2_SP3	O	N[6]	C	3:3:	4:4:2:	2:3:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	O-2:C-3:O-1:	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC)	C(ON[6])(CHP)(O)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(ON[6])(CHP)(O)	115.5900	0.000	1	115.5900	0.000	1	115.1730	0.348	2	115.1730	0.348	2	114.4696	2.598	10	114.4696	2.598	10
893	856	930	0:SP2_SP2_SP3	O	N[6]	C	3:3:	4:4:2:	2:4:2:	N[6]-3:C-3:	S[6]-4:S[6]-4:O-2:	O-2:C-4:N-2:	O(N[6]S[6]2)(CCN)	N[6](S[6]C[6,6a]OO)2(OC)	C(ON[6])(CCCH)(NC)	O(N[6]S[6]2)(CCN)	N[6](S[6]C[6,6a]OO)2(OC){3|C<3>}	C(ON[6])(CCCH)(NC)	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	116.2620	0.000	1	114.4696	2.598	10	114.4696	2.598	10
893	856	930	0:SP2_SP2_SP3	O	N[6]	C	3:3:	4:4:2:	3:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	C[6a]-3:O-2:O-1:	O(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C(C[6a]C[6a]2)(ON[6])(O)	O(N[6]C[6]2)(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(ON[6])(O)	112.2590	0.164	2	112.2590	0.027	2	112.2590	0.027	2	112.2590	0.027	2	114.4696	2.598	10	114.4696	2.598	10
893	856	930	0:SP2_SP2_SP3	O	N[6]	C	3:3:	4:4:2:	3:2:3:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	C[6a]-3:O-2:C-3:	O(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]CC)2(OC)	C(C[6a]C[6a]2)(ON[6])(CHN)	O(N[6]C[6]2)(CC[6a]C)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(ON[6])(CHN)	115.3045	0.766	4	115.3045	0.586	4	115.3045	0.586	4	115.3045	0.586	4	114.4696	2.598	10	114.4696	2.598	10
893	856	930	0:SP2_SP2_SP3	O	N[6]	C	3:3:	4:4:2:	4:2:1:	N[6]-3:C-3:	C[6]-4:C[6]-4:O-2:	C-4:O-2:O-1:	O(N[6]C[6]2)(CCO)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C(CC[6a]HH)(ON[6])(O)	O(N[6]C[6]2)(CCO)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]HH)(ON[6])(O)	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	114.4696	2.598	10	114.4696	2.598	10
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6,6]-3:C[6,6]-3:O-2:	O-2:	O(N[6]C[6,6]2)(H)	N[6](C[6,6]C[6,6]C[6])2(OH)	H(ON[6])	O(N[6]C[6,6]2)(H)	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	H(ON[6])	111.9980	3.554	2	111.9980	12.630	2	111.9980	12.630	2	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<2>}	H(ON[6])	106.1590	0.000	1	105.5565	0.726	2	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>}	H(ON[6])	104.9540	0.000	1	105.5565	0.726	2	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	H(ON[6])	109.4940	0.000	1	109.4940	0.000	1	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	H(ON[6])	102.3290	0.000	1	102.3290	0.000	1	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6]H)2(OH){1|C<3>,2|H<1>}	H(ON[6])	105.4200	3.830	3	105.4200	14.667	3	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|H<1>}	H(ON[6])	101.1140	0.000	1	102.7587	3.586	3	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>,1|O<1>}	H(ON[6])	103.5810	1.765	2	102.7587	3.586	3	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<1>}	H(ON[6])	111.3970	0.000	1	104.0017	44.934	3	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<2>}	H(ON[6])	100.3041	2.799	2	104.0017	44.934	3	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:3:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)2(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]N[6]N)2(OH){1|C<3>,1|O<2>}	H(ON[6])	102.4645	2.449	2	102.4645	5.996	2	104.2937	13.215	15	105.2001	18.899	17	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	3:4:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH){2|C<3>,2|H<1>}	H(ON[6])	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	109.5090	0.000	1	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP2	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6]CC)2(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	H(ON[6])	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	105.6491	18.608	19	105.6491	18.608	19
893	856	951	0:SP3_SP-NON_SP3	O	N[6,6]	H	3:1:	4:4:2:	2:	N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:	O-2:	O(N[6,6]C[3x6]2)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	H(ON[6,6])	O(N[6,6]C[3x6]2)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	H(ON[6,6])	101.6069	9.354	2	100.2131	23.080	8	100.2131	23.080	8	100.0499	20.435	9	100.0499	20.435	9	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6,6]	H	3:1:	4:4:2:	2:	N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-2:	O-2:	O(N[6,6]C[3x6]2)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	H(ON[6,6])	O(N[6,6]C[3x6]2)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	H(ON[6,6])	99.7485	3.712	6	100.2131	23.080	8	100.2131	23.080	8	100.0499	20.435	9	100.0499	20.435	9	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6,6]	H	3:1:	4:4:2:	2:	N[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:	O-2:	O(N[6,6]C[5,6,6]C[6,6])(H)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	H(ON[6,6])	O(N[6,6]C[5,6,6]C[6,6])(H)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	H(ON[6,6])	98.7440	0.000	1	98.7440	0.000	1	98.7440	0.000	1	100.0499	20.435	9	100.0499	20.435	9	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	3:4:2:	2:	N[6]-3:H-1:	C[6]-3:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	H(ON[6])	103.1470	0.000	1	103.1470	0.000	1	103.1470	0.000	1	103.1470	0.000	1	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[5,6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[5,6]C[6])(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	H(ON[6])	O(N[6]C[5,6]C[6])(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	H(ON[6])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6,6]C[6])(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(ON[6])	O(N[6]C[6,6]C[6])(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	H(ON[6])	101.4220	0.000	1	101.4220	0.000	1	101.4220	0.000	1	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	H(ON[6])	110.0750	0.849	2	110.0750	0.720	2	103.3551	18.660	17	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(ON[6])	103.8840	4.680	2	106.0637	25.202	3	103.3551	18.660	17	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(ON[6])	110.4230	0.000	1	106.0637	25.202	3	103.3551	18.660	17	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	H(ON[6])	96.4906	0.000	1	96.4906	0.000	1	103.3551	18.660	17	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6]CC)2(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6]CC)2(OH){1|C<4>,4|H<1>}	H(ON[6])	101.8488	2.691	10	101.8488	7.242	10	103.3551	18.660	17	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	O-2:	O(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)2(OH)	H(ON[6])	O(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)2(OH){1|N<3>,4|C<3>,4|H<1>}	H(ON[6])	103.7170	0.000	1	103.7170	0.000	1	103.3551	18.660	17	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	951	0:SP3_SP-NON_SP3	O	N[6]	H	3:1:	4:4:2:	2:	N[6]-3:H-1:	S[6]-4:S[6]-4:O-2:	O-2:	O(N[6]S[6]2)(H)	N[6](S[6]C[6,6a]OO)2(OH)	H(ON[6])	O(N[6]S[6]2)(H)	N[6](S[6]C[6,6a]OO)2(OH){3|C<3>}	H(ON[6])	109.4375	0.021	2	109.4375	0.000	2	109.4375	0.000	2	104.1353	20.068	21	104.0904	19.157	22	102.9173	22.335	31
893	856	952	0:SP3_SP3_SP3	O	N[6]	S	3:4:	4:4:2:	2:1:1:1:	N[6]-3:S-4:	C[6]-4:C[6]-4:O-2:	O-2:O-1:O-1:O-1:	O(N[6]C[6]2)(SO3)	N[6](C[6]C[6]CC)2(OS)	S(ON[6])(O)3	O(N[6]C[6]2)(SO3)	N[6](C[6]C[6]CC)2(OS){1|C<3>,4|H<1>}	S(ON[6])(O)3	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1	116.3540	0.000	1
893	861	861	0:SP3_SP3_SP3	O	Se	Se	4:4:	2:2:1:1:	2:2:1:1:	Se-4:Se-4:	O-2:O-2:O-1:O-1:	O-2:O-2:O-1:O-1:	O(SeO3)2	Se(OSe)2(O)2	Se(OSe)2(O)2	O(SeO3)2	Se(OSe)2(O)2	Se(OSe)2(O)2	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1
893	861	876	0:SP3_SP-NON_SP3	O	Se	H	4:2:	2:1:1:1:	2:2:	Se-4:H-2:	O-2:O-1:O-1:O-1:	O-2:H-2:	O(SeO3)(HH)	Se(OH)(O)3	H(OSe)(HO)	O(SeO3)(HH)	Se(OH)(O)3	H(OSe)(HO)	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1
893	861	908	0:SP2_SP2_SP3	O	Se	Se	4:3:	2:2:1:1:	2:2:1:	Se-4:Se-3:	O-2:O-2:O-1:O-1:	O-2:O-2:O-1:	O(SeO3)(SeOO)	Se(OSe)2(O)2	Se(OSe)2(O)	O(SeO3)(SeOO)	Se(OSe)2(O)2	Se(OSe)2(O)	126.4070	1.095	2	126.4070	1.198	2	126.4070	1.198	2	126.4070	1.198	2	126.4070	1.198	2	126.4070	1.198	2
893	861	951	0:SP3_SP-NON_SP3	O	Se	H	4:1:	2:1:1:1:	2:	Se-4:H-1:	O-2:O-1:O-1:O-1:	O-2:	O(SeO3)(H)	Se(OH)(O)3	H(OSe)	O(SeO3)(H)	Se(OH)(O)3	H(OSe)	108.9237	1.682	6	108.9237	2.830	6	108.9237	2.830	6	108.9237	2.830	6	108.9292	2.034	8	108.9292	2.034	8
893	861	951	0:SP3_SP-NON_SP3	O	Se	H	4:1:	2:2:1:1:	2:	Se-4:H-1:	O-2:O-2:O-1:O-1:	O-2:	O(SeO3)(H)	Se(OH)2(O)2	H(OSe)	O(SeO3)(H)	Se(OH)2(O)2	H(OSe)	108.9460	0.286	2	108.9460	0.082	2	108.9460	0.082	2	108.9460	0.082	2	108.9292	2.034	8	108.9292	2.034	8
893	863	863	0:SP2_SP2_SP2	O	O	O	1:1:	2:	2:	O-1:O-1:	O-2:	O-2:	O(O)2	O(OO)	O(OO)	O(O)2	O(OO)	O(OO)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
893	863	930	0:SP2_SP2_SP2	O	O	C	3:1:	2:	4:2:1:	C-3:O-1:	O-2:	C-4:O-2:O-1:	O(CCO)(O)	O(OC)	C(CCHH)(OO)(O)	O(CCO)(O)	O(OC)	C(CCHH)(OO)(O)	111.5400	1.110	2	111.5400	1.232	2	110.6053	3.237	3	110.6053	3.237	3	110.6053	3.237	3	110.6053	3.237	3
893	863	930	0:SP2_SP2_SP2	O	O	C	3:1:	2:	4:2:1:	C-3:O-1:	O-2:	C-4:O-2:O-1:	O(CCO)(O)	O(OC)	C(CN[5]HH)(OO)(O)	O(CCO)(O)	O(OC)	C(CN[5]HH)(OO)(O)	108.7360	0.000	1	108.7360	0.000	1	110.6053	3.237	3	110.6053	3.237	3	110.6053	3.237	3	110.6053	3.237	3
893	863	983	0:SP2_SP1_SP2	O	O	C	2:1:	2:	2:2:	C-2:O-1:	O-2:	C-2:O-2:	O(CC)(O)	O(OC)	C(CO)(OO)	O(CC)(O)	O(OC)	C(CO)(OO)	95.4813	0.000	1	95.4813	0.000	1	95.4813	0.000	1	95.4813	0.000	1	95.4813	0.000	1	95.4813	0.000	1
893	874	874	0:SP3_SP3_SP3	O	B[3x6]	B[3x6]	4:4:	3:3:3:2:	3:3:3:2:	B[3x6]-4:B[3x6]-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-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)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6])	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6])	O(B[3x6]N[5a,6,6]3)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6]){3|N<2>,6|C<3>}	B[3x6](N[5a,6,6]C[5a,6]2)3(OB[3x6]){3|N<2>,6|C<3>}	133.7937	2.881	3	133.7937	8.298	3	133.7937	8.298	3	133.7937	8.298	3	133.7937	8.298	3	133.3194	29.531	9
893	874	874	0:SP3_SP3_SP3	O	B[6]	B[6]	4:4:	3:2:2:3:	3:2:2:3:	B[6]-4:B[6]-4:	O[6]-3:O[6]-2:O-2:O-3:	O[6]-3:O[6]-2:O-2:O-3:	O(B[6]O[6]2O)2	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV)	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV)	O(B[6]O[6]2O)2	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV){1|O<3>,3|O<2>}	B[6](O[6]B[6]V)(O[6]B[6])(OB[6])(OVV){1|O<3>,3|O<2>}	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	133.0823	43.728	6	133.3194	29.531	9
893	874	874	0:SP3_SP3_SP3	O	B[6]	B[6]	4:4:	3:2:3:2:	3:2:3:2:	B[6]-4:B[6]-4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	137.7475	0.753	2	136.1900	3.811	4	136.1900	3.811	4	136.1900	3.811	4	133.0823	43.728	6	133.3194	29.531	9
893	874	874	0:SP3_SP3_SP3	O	B[6]	B[6]	4:4:	3:2:3:2:	3:2:3:2:	B[6]-4:B[6]-4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|F<1>,2|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){1|F<1>,2|H<1>,4|C<3>}	135.3950	0.000	1	136.1900	3.811	4	136.1900	3.811	4	136.1900	3.811	4	133.0823	43.728	6	133.3194	29.531	9
893	874	874	0:SP3_SP3_SP3	O	B[6]	B[6]	4:4:	3:2:3:2:	3:2:3:2:	B[6]-4:B[6]-4:	C[6a]-3:O[6]-2:N[6]-3:O-2:	C[6a]-3:O[6]-2:N[6]-3:O-2:	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6])	O(B[6]C[6a]N[6]O[6])2	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){3|H<1>,4|C<3>}	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OB[6]){3|H<1>,4|C<3>}	133.8700	0.000	1	136.1900	3.811	4	136.1900	3.811	4	136.1900	3.811	4	133.0823	43.728	6	133.3194	29.531	9
893	874	874	0:SP3_SP3_SP3	O	B[6]	B[6]	4:4:	3:3:3:2:	3:3:3:2:	B[6]-4:B[6]-4:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	N[5,6]-3:N[5,6]-3:N[5a]-3:O-2:	O(B[6]N[5,6]2N[5a])2	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6])	O(B[6]N[5,6]2N[5a])2	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	B[6](N[5,6]N[5,6]C[5])2(N[5a]C[5a]N[5a])(OB[6]){1|B<4>,3|H<1>,6|C<3>}	133.6240	0.000	1	133.6240	0.000	1	133.6240	0.000	1	133.6240	0.000	1	133.0823	43.728	6	133.3194	29.531	9
893	874	880	0:SP3_SP3_SP3	O	B[3x6]	Si	4:4:	3:3:3:2:	2:4:4:4:	B[3x6]-4:Si-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:C-4:C-4:C-4:	O(B[3x6]N[5a,6,6]3)(SiC3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	Si(OB[3x6])(CH3)3	O(B[3x6]N[5a,6,6]3)(SiC3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){3|N<2>,6|C<3>}	Si(OB[3x6])(CH3)3	136.9775	2.692	2	136.9775	7.247	2	136.9775	7.247	2	136.9775	7.247	2	144.9187	192.810	3	144.9187	192.810	3
893	874	880	0:SP3_SP3_SP3	O	B[3x6]	Si	4:4:	3:3:3:2:	3:3:3:2:	B[3x6]-4:Si-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(B[3x6]N[5a,6,6]3)(SiC[6a]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi)	Si(C[6a]C[6a]2)3(OB[3x6])	O(B[3x6]N[5a,6,6]3)(SiC[6a]3)	B[3x6](N[5a,6,6]C[5a,6]2)3(OSi){9|C<3>}	Si(C[6a]C[6a]2)3(OB[3x6])	160.8010	0.000	1	160.8010	0.000	1	160.8010	0.000	1	160.8010	0.000	1	144.9187	192.810	3	144.9187	192.810	3
893	874	887	0:SP3_SP3_SP3	O	B[6]	S	4:3:	4:4:4:2:	2:4:4:	B[6]-4:S-3:	C[6]-4:C[6]-4:C-4:O-2:	O-2:C-4:C-4:	O(B[6]C[6]2C)(SCC)	B[6](C[6]C[6,6]HH)2(CCHH)(OS)	S(OB[6])(CH3)2	O(B[6]C[6]2C)(SCC)	B[6](C[6]C[6,6]HH)2(CCHH)(OS){2|H<1>,3|C<4>}	S(OB[6])(CH3)2	116.9710	0.038	2	116.9710	0.001	2	116.9710	0.001	2	116.9710	0.001	2	116.9710	0.001	2	116.9710	0.001	2
893	874	930	0:SP2_SP2_SP3	O	B[3x6]	C	4:3:	3:3:3:2:	2:3:1:	B[3x6]-4:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:N-3:H-1:	O(B[3x6]N[5a,6,6]3)(CHN)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	C(OB[3x6])(NCC)(H)	O(B[3x6]N[5a,6,6]3)(CHN)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	C(OB[3x6])(NCC)(H)	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.2730	0.284	4	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[3x6]	C	4:3:	3:3:3:2:	2:4:1:	B[3x6]-4:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:C-4:O-1:	O(B[3x6]N[5a,6,6]3)(CCO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	C(OB[3x6])(CF3)(O)	O(B[3x6]N[5a,6,6]3)(CCO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	C(OB[3x6])(CF3)(O)	121.2890	0.000	1	121.2890	0.000	1	121.2890	0.000	1	121.2890	0.000	1	121.2730	0.284	4	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[3x6]	C	4:3:	3:3:3:2:	3:2:1:	B[3x6]-4:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[6a]-3:O-2:O-1:	O(B[3x6]N[5a,6,6]3)(CC[6a]O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	C(C[6a]C[6a]2)(OB[3x6])(O)	O(B[3x6]N[5a,6,6]3)(CC[6a]O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	C(C[6a]C[6a]2)(OB[3x6])(O)	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	121.2730	0.284	4	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[3x6]	C	4:3:	3:3:3:2:	4:2:1:	B[3x6]-4:C-3:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[5]-4:O-2:O-1:	O(B[3x6]N[5a,6,6]3)(CC[5]O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	C(C[5]C[5]2Fe)(OB[3x6])(O)	O(B[3x6]N[5a,6,6]3)(CC[5]O)	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	C(C[5]C[5]2Fe)(OB[3x6])(O)	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	121.3410	0.000	1	121.2730	0.284	4	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6,6]	C	4:3:	4:4:2:2:	2:1:1:	B[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:H-1:O-1:	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2	C(OB[6,6])(H)(O)	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C(OB[6,6])(H)(O)	119.9960	0.942	2	119.9960	0.887	2	119.9960	0.887	2	119.9960	0.887	2	122.9072	28.652	6	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6,6]	C	4:3:	4:4:2:2:	2:2:1:	B[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O-2:O-2:H-1:	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2	C(OB[6,6])2(H)	O(B[6,6]C[6,6]2O)(CHO)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C(OB[6,6])2(H)	119.0695	0.562	2	119.0695	0.316	2	119.0695	0.316	2	119.0695	0.316	2	122.9072	28.652	6	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6,6]	C	4:3:	4:4:2:2:	3:2:2:	B[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:O-2:O-2:	C[6a]-3:O-2:O-2:	O(B[6,6]C[6,6]2O)(CC[6a]O)	B[6,6](C[6,6]C[6]2H)2(OC)2	C(C[6a]C[6a]2)(OB[6,6])2	O(B[6,6]C[6,6]2O)(CC[6a]O)	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	C(C[6a]C[6a]2)(OB[6,6])2	129.6560	2.135	2	129.6560	4.560	2	129.6560	4.560	2	129.6560	4.560	2	122.9072	28.652	6	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6]	C	4:3:	3:3:2:1:	2:4:1:	B[6]-4:C-3:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	O-2:C-4:O-1:	O(B[6]N[5a,6]2F)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F)	C(OB[6])(CH3)(O)	O(B[6]N[5a,6]2F)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(F){2|C<4>,5|C<3>}	C(OB[6])(CH3)(O)	123.2640	0.529	2	123.2640	0.280	2	123.2640	0.280	2	123.2640	0.280	2	121.2247	6.132	12	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6]	C	4:3:	3:3:2:1:	3:2:1:	B[6]-4:C-3:	N[6]-3:N[6]-3:O-2:F-1:	C[6a]-3:O-2:O-1:	O(B[6]N[6]2F)(CC[6a]O)	B[6](N[6]C[6a]C[6])2(OC)(F)	C(C[6a]C[6a]2)(OB[6])(O)	O(B[6]N[6]2F)(CC[6a]O)	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	C(C[6a]C[6a]2)(OB[6])(O)	127.2370	0.000	1	127.2370	0.000	1	127.2370	0.000	1	127.2370	0.000	1	121.2247	6.132	12	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6]	C	4:3:	3:3:2:2:	2:4:1:	B[6]-4:C-3:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	O-2:C-4:O-1:	O(B[6]C[6,6a]N[6,6]O)(CCO)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	C(OB[6])(CH3)(O)	O(B[6]C[6,6a]N[6,6]O)(CCO)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C(OB[6])(CH3)(O)	121.8710	0.000	1	121.8710	0.000	1	121.8710	0.000	1	119.9950	1.507	8	121.2247	6.132	12	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6]	C	4:3:	3:3:2:2:	2:4:1:	B[6]-4:C-3:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O-2:C-4:O-1:	O(B[6]N[5a,6]2O)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	C(OB[6])(CCHH)(O)	O(B[6]N[5a,6]2O)(CCO)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	C(OB[6])(CCHH)(O)	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	119.9950	1.507	8	121.2247	6.132	12	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6]	C	4:3:	3:3:2:2:	2:4:1:	B[6]-4:C-3:	N[6]-3:N[6]-3:O-2:O-2:	O-2:C-4:O-1:	O(B[6]N[6]2O)(CCO)	B[6](N[6]C[6a]N[6])2(OC)2	C(OB[6])(CH3)(O)	O(B[6]N[6]2O)(CCO)	B[6](N[6]C[6a]N[6])2(OC)2{5|C<3>}	C(OB[6])(CH3)(O)	119.6725	1.132	6	119.6725	1.281	6	119.6725	1.281	6	119.9950	1.507	8	121.2247	6.132	12	121.6923	10.655	22
893	874	930	0:SP2_SP2_SP3	O	B[6]	C	4:3:	3:3:3:2:	2:1:1:	B[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:H-1:O-1:	O(B[6]C[6,6a]2C[6a])(CHO)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C(OB[6])(H)(O)	O(B[6]C[6,6a]2C[6a])(CHO)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	C(OB[6])(H)(O)	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	120.9710	0.000	1	121.2247	6.132	12	121.6923	10.655	22
893	874	951	0:SP3_SP-NON_SP3	O	B[3x6]	H	4:1:	2:2:2:2:	2:	B[3x6]-4:H-1:	O[6,6]-2:O[6,6]-2:O[6,6]-2:O-2:	O-2:	O(B[3x6]O[6,6]3)(H)	B[3x6](O[6,6]N[4x6])3(OH)	H(OB[3x6])	O(B[3x6]O[6,6]3)(H)	B[3x6](O[6,6]N[4x6])3(OH){3|C<4>}	H(OB[3x6])	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	113.4778	6.953	4	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[3x6]	H	4:1:	3:3:3:2:	2:	B[3x6]-4:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:	O(B[3x6]N[5a,6,6]3)(H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OH)	H(OB[3x6])	O(B[3x6]N[5a,6,6]3)(H)	B[3x6](N[5a,6,6]C[5a,6]2)3(OH){3|N<2>,6|C<3>}	H(OB[3x6])	112.4983	2.162	3	112.4983	4.673	3	112.4983	4.673	3	112.4983	4.673	3	113.4778	6.953	4	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6,6]	H	4:1:	2:2:2:2:	2:	B[6,6]-4:H-1:	O[6,6]-2:O[6]-2:O[6]-2:O-2:	O-2:	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH)	H(OB[6,6])	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6])(O[6]B[6])2(OH){5|O<2>}	H(OB[6,6])	111.3260	1.917	5	111.3260	3.674	5	111.3260	3.674	5	111.3260	3.674	5	110.6942	3.492	12	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6,6]	H	4:1:	3:2:2:2:	2:	B[6,6]-4:H-1:	N[3x6]-3:O[6]-2:O[6]-2:O-2:	O-2:	O(B[6,6]N[3x6]O[6]2)(H)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH)	H(OB[6,6])	O(B[6,6]N[3x6]O[6]2)(H)	B[6,6](N[3x6]C[6,6]2)(O[6]C[6,6a])2(OH){6|C<3>}	H(OB[6,6])	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	109.8588	0.488	4	110.6942	3.492	12	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6,6]	H	4:1:	3:2:2:2:	2:	B[6,6]-4:H-1:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	O-2:	O(B[6,6]O[3x6]O[6]2)(H)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	H(OB[6,6])	O(B[6,6]O[3x6]O[6]2)(H)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	H(OB[6,6])	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.8588	0.488	4	110.6942	3.492	12	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6,6]	H	4:1:	3:2:2:2:	2:	B[6,6]-4:H-1:	O[6,6]-3:O[6]-2:O[6]-2:O-2:	O-2:	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH)	H(OB[6,6])	O(B[6,6]O[6,6]O[6]2)(H)	B[6,6](O[6,6]B[6,6]Zn)(O[6]B[6])2(OH){5|O<2>}	H(OB[6,6])	109.5355	0.021	2	109.5355	0.000	2	109.5355	0.000	2	109.8588	0.488	4	110.6942	3.492	12	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6,6]	H	4:1:	4:3:3:2:	2:	B[6,6]-4:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	O-2:	O(B[6,6]N[6,6]N[6]2)(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH)	H(OB[6,6])	O(B[6,6]N[6,6]N[6]2)(H)	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OH){2|C<4>,8|H<1>}	H(OB[6,6])	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	110.6942	3.492	12	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6,6]	H	4:1:	4:4:4:2:	2:	B[6,6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:O-2:	O-2:	O(B[6,6]N[6,6]C[6]2)(H)	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH)	H(OB[6,6])	O(B[6,6]N[6,6]C[6]2)(H)	B[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(OH){2|C<3>,6|H<1>}	H(OB[6,6])	109.7935	3.451	2	109.7935	11.912	2	109.7935	11.912	2	109.7935	11.912	2	110.6942	3.492	12	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6]	H	4:1:	3:3:2:2:	2:	B[6]-4:H-1:	C[6,6a]-3:N[6,6]-3:O-2:O-2:	O-2:	O(B[6]C[6,6a]N[6,6]O)(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH)	H(OB[6])	O(B[6]C[6,6a]N[6,6]O)(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(OC)(OH){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(OB[6])	109.4430	0.000	1	109.4430	0.000	1	109.4430	0.000	1	111.9278	31.526	4	111.4316	24.876	5	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6]	H	4:1:	3:3:2:2:	2:	B[6]-4:H-1:	C[6]-3:O[6]-3:O[6]-2:O-2:	O-2:	O(B[6]C[6]O[6]2)(H)	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH)	H(OB[6])	O(B[6]C[6]O[6]2)(H)	B[6](C[6]C[6]N[6])(O[6]B[6]Ir)(O[6]B[6])(OH){1|H<1>,3|C<3>,3|O<2>}	H(OB[6])	114.3905	8.386	2	114.3905	70.318	2	114.3905	70.318	2	111.9278	31.526	4	111.4316	24.876	5	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6]	H	4:1:	3:3:2:2:	2:	B[6]-4:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O-2:	O(B[6]N[5a,6]2O)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH)	H(OB[6])	O(B[6]N[5a,6]2O)(H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)(OH){2|C<4>,5|C<3>}	H(OB[6])	109.4870	0.000	1	109.4870	0.000	1	109.4870	0.000	1	111.9278	31.526	4	111.4316	24.876	5	111.4000	9.101	21
893	874	951	0:SP3_SP-NON_SP3	O	B[6]	H	4:1:	3:3:3:2:	2:	B[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	O-2:	O(B[6]C[6,6a]2C[6a])(H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	H(OB[6])	O(B[6]C[6,6a]2C[6a])(H)	B[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|B<4>,1|P<4>,3|H<1>,6|C<3>}	H(OB[6])	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	111.4316	24.876	5	111.4000	9.101	21
893	874	952	0:SP3_SP3_SP3	O	B[3x6]	S	4:4:	3:3:3:2:	2:4:1:1:	B[3x6]-4:S-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:C-4:O-1:O-1:	O(B[3x6]N[5a,6,6]3)(SCOO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS)	S(OB[3x6])(CH3)(O)2	O(B[3x6]N[5a,6,6]3)(SCOO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS){3|N<2>,6|C<3>}	S(OB[3x6])(CH3)(O)2	125.9165	1.315	4	125.9165	1.729	4	125.9165	1.729	4	125.9165	1.729	4	126.8885	3.404	8	127.2487	3.259	10
893	874	952	0:SP3_SP3_SP3	O	B[3x6]	S	4:4:	3:3:3:2:	3:2:1:1:	B[3x6]-4:S-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(B[3x6]N[5a,6,6]3)(SC[6a]OO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS)	S(C[6a]C[6a]2)(OB[3x6])(O)2	O(B[3x6]N[5a,6,6]3)(SC[6a]OO)	B[3x6](N[5a,6,6]C[5a,6]2)3(OS){3|N<2>,6|C<3>}	S(C[6a]C[6a]2)(OB[3x6])(O)2	127.8605	1.922	4	127.8605	3.693	4	127.8605	3.693	4	127.8605	3.693	4	126.8885	3.404	8	127.2487	3.259	10
893	874	952	0:SP3_SP3_SP3	O	B[6,6]	S	4:4:	3:3:3:2:	2:4:1:1:	B[6,6]-4:S-4:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O-2:	O-2:C-4:O-1:O-1:	O(B[6,6]O[5,6,6]N[6,6]2)(SCOO)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS)	S(OB[6,6])(CF3)(O)2	O(B[6,6]O[5,6,6]N[6,6]2)(SCOO)	B[6,6](O[5,6,6]B[5,6,6]C[5,6a])(N[6,6]C[3x6]C[6])2(OS){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	S(OB[6,6])(CF3)(O)2	129.0880	0.000	1	129.0880	0.000	1	129.0880	0.000	1	129.0880	0.000	1	129.0880	0.000	1	127.2487	3.259	10
893	874	952	0:SP3_SP3_SP3	O	B[6]	S	4:4:	3:3:2:1:	2:4:1:1:	B[6]-4:S-4:	N[5a,6]-3:N[5a,6]-3:O-2:F-1:	O-2:C-4:O-1:O-1:	O(B[6]N[5a,6]2F)(SCOO)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F)	S(OB[6])(CF3)(O)2	O(B[6]N[5a,6]2F)(SCOO)	B[6](N[5a,6]C[5a,6]C[5a])2(OS)(F){2|C<4>,5|C<3>}	S(OB[6])(CF3)(O)2	128.2910	0.000	1	128.2910	0.000	1	128.2910	0.000	1	128.2910	0.000	1	128.2910	0.000	1	127.2487	3.259	10
893	876	876	0:SP3_SP-NON_SP-NON	O	H	H	2:2:	2:1:	2:1:	H-2:H-2:	O-2:H-1:	O-2:H-1:	O(HH)2	H(OH)(H)	H(OH)(H)	O(HH)2	H(OH)(H)	H(OH)(H)	102.8130	0.000	1	102.8130	0.000	1	102.8130	0.000	1	102.8130	0.000	1	102.8130	0.000	1	102.8130	0.000	1
893	876	893	0:SP3_SP-NON_SP3	O	H	O	2:2:	2:2:	3:2:	H-2:O-2:	O-2:O-2:	P-3:O-2:	O(HO)(OP)	H(OO)(OP)	O(POO)(OH)	O(HO)(OP)	H(OO)(OP)	O(POO)(OH)	67.6641	0.000	1	67.6641	0.000	1	67.6641	0.000	1	67.6641	0.000	1	67.6641	0.000	1	67.6641	0.000	1
893	876	930	0:SP2_SP-NON_SP2	O	H	C	3:2:	2:2:	3:2:1:	C-3:H-2:	O-2:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(HO)	H(OC)2	C(C[6a]C[6a]2)(OH)(O)	O(CC[6a]O)(HO)	H(OC)2	C(C[6a]C[6a]2)(OH)(O)	112.9285	2.888	11	112.9285	8.339	11	112.9057	7.587	12	112.9057	7.587	12	114.2261	11.238	16	114.2261	11.238	16
893	876	930	0:SP2_SP-NON_SP2	O	H	C	3:2:	2:2:	3:2:1:	C-3:H-2:	O-2:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(HO)	H(OC[6])(OC)	C(C[6a]C[6,6a]C[6a])(OH)(O)	O(CC[6a]O)(HO)	H(OC[6])(OC)	C(C[6a]C[6,6a]C[6a])(OH)(O)	112.6560	0.000	1	112.6560	0.000	1	112.9057	7.587	12	112.9057	7.587	12	114.2261	11.238	16	114.2261	11.238	16
893	876	930	0:SP2_SP-NON_SP2	O	H	C	3:2:	2:2:	4:2:2:	C-3:H-2:	H-2:O-2:	C[3x4,3x6]-4:O-2:O-2:	O(CC[3x4,3x6]O)(HH)	H(HO)(OC)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)2	O(CC[3x4,3x6]O)(HH)	H(HO)(OC)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)2	118.1870	0.694	4	118.1870	0.481	4	118.1870	0.481	4	118.1870	0.481	4	114.2261	11.238	16	114.2261	11.238	16
893	876	951	0:SP3_SP-NON_SP-NON	O	H	H	2:1:	2:2:	2:	H-2:H-1:	H-2:O-2:	O-2:	O(HH)(H)	H(HO)(OH)	H(OH)	O(HH)(H)	H(HO)(OH)	H(OH)	97.9702	7.260	2	97.9702	52.712	2	97.9702	52.712	2	97.9702	52.712	2	104.2726	71.375	4	104.2726	71.375	4
893	876	951	0:SP3_SP-NON_SP-NON	O	H	H	2:1:	3:2:	2:	H-2:H-1:	O-3:O-2:	O-2:	O(HO)(H)	H(OCC)(OH)	H(OH)	O(HO)(H)	H(OCC)(OH)	H(OH)	109.4500	0.000	1	109.4500	0.000	1	110.5750	2.531	2	110.5750	2.531	2	104.2726	71.375	4	104.2726	71.375	4
893	876	951	0:SP3_SP-NON_SP-NON	O	H	H	2:1:	3:2:	2:	H-2:H-1:	O-3:O-2:	O-2:	O(HO)(H)	H(OHH)(OH)	H(OH)	O(HO)(H)	H(OHH)(OH)	H(OH)	111.7000	0.000	1	111.7000	0.000	1	110.5750	2.531	2	110.5750	2.531	2	104.2726	71.375	4	104.2726	71.375	4
893	876	992	0:SP3_SP-NON_SP3	O	H	P	4:2:	2:2:	2:2:1:1:	P-4:H-2:	O-2:O-2:	O-2:O-2:O-1:O-1:	O(PO3)(HO)	H(OO)(OP)	P(OH)2(O)2	O(PO3)(HO)	H(OO)(OP)	P(OH)2(O)2	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:2:1:1:	2:2:1:1:	Si-4:Si-4:	O-2:O-2:Cl-1:Cl-1:	O-2:O-2:Cl-1:Cl-1:	O(SiCl2O)2	Si(OSi)2(Cl)2	Si(OSi)2(Cl)2	O(SiCl2O)2	Si(OSi)2(Cl)2	Si(OSi)2(Cl)2	159.6270	15.669	2	159.6270	245.533	2	159.6270	245.533	2	159.6270	245.533	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:2:2:1:	2:2:2:1:	Si-4:Si-4:	O-2:O-2:O-2:H-1:	O-2:O-2:O-2:H-1:	O(SiHOO)2	Si(OSi)3(H)	Si(OSi)3(H)	O(SiHOO)2	Si(OSi)3(H)	Si(OSi)3(H)	147.3450	0.143	2	147.3450	0.020	2	147.3450	0.020	2	147.3450	0.020	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:2:2:2:	2:2:2:2:	Si-4:Si-4:	O-2:O-2:O-2:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)2	Si(OC[6a])3(OSi)	Si(OC[6a])3(OSi)	O(SiO3)2	Si(OC[6a])3(OSi)	Si(OC[6a])3(OSi)	179.9705	0.042	2	179.9705	0.002	2	156.3622	222.916	8	156.3622	222.916	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:2:2:2:	2:2:2:2:	Si-4:Si-4:	O-2:O-2:O-2:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)2	Si(OSi)4	Si(OSi)4	O(SiO3)2	Si(OSi)4	Si(OSi)4	148.4928	3.851	6	148.4928	14.829	6	156.3622	222.916	8	156.3622	222.916	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:4:2:2:	4:4:4:2:	Si-4:Si-4:	O-2:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiCOO)(SiC3)	Si(OSi[4x6])(CH3)(OSi)2	Si(CH3)3(OSi)	O(SiCOO)(SiC3)	Si(OSi[4x6])(CH3)(OSi)2	Si(CH3)3(OSi)	142.8025	1.136	2	142.8025	1.291	2	142.8025	1.291	2	142.8025	1.291	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:4:4:2:	4:4:2:1:	Si-4:Si-4:	O-2:C-4:C-4:O-2:	C-4:C-4:O-2:H-1:	O(SiCCH)(SiCCO)	Si(OC[5])(CH3)2(OSi)	Si(CH3)2(OSi)(H)	O(SiCCH)(SiCCO)	Si(OC[5])(CH3)2(OSi)	Si(CH3)2(OSi)(H)	137.5870	0.000	1	137.5870	0.000	1	137.5870	0.000	1	137.5870	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	2:4:4:2:	4:4:2:2:	Si-4:Si-4:	O-2:C-4:C-4:O-2:	C-4:C-4:O-2:O-2:	O(SiCCO)2	Si(OC[5])(CCCH)2(OSi)	Si(CCCH)2(OSi)(OC)	O(SiCCO)2	Si(OC[5])(CCCH)2(OSi)	Si(CCCH)2(OSi)(OC)	155.8840	0.000	1	155.8840	0.000	1	155.8840	0.000	1	155.8840	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:1:1:	3:2:1:1:	Si-4:Si-4:	C[6]-3:O-2:C-1:C-1:	C[6]-3:O-2:C-1:C-1:	O(SiC[6]CC)2	Si(C[6]C[6]2)(OSi)(C)2	Si(C[6]C[6]2)(OSi)(C)2	O(SiC[6]CC)2	Si(C[6]C[6]2)(OSi)(C)2	Si(C[6]C[6]2)(OSi)(C)2	149.9340	0.000	1	149.9340	0.000	1	149.9340	0.000	1	149.9340	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:1:	4:4:4:2:	Si-4:Si-4:	C[5]-3:N-2:O-2:O-1:	C-4:C-4:C-4:O-2:	O(SiC[5]NO)(SiC3)	Si(C[5]N[5]2)(NC[5])(OSi)(O)	Si(CC3)3(OSi)	O(SiC[5]NO)(SiC3)	Si(C[5]N[5]2)(NC[5])(OSi)(O)	Si(CC3)3(OSi)	151.5510	0.000	1	151.5510	0.000	1	151.5510	0.000	1	151.5510	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	3:2:2:2:	Si-4:Si-4:	C-3:O-2:O-2:O-2:	C-3:O-2:O-2:O-2:	O(SiCOO)2	Si(CCH)(OSi)3	Si(CCH)(OSi)3	O(SiCOO)2	Si(CCH)(OSi)3	Si(CCH)(OSi)3	143.9392	4.283	18	143.9392	18.343	18	143.9392	18.343	18	148.6804	73.876	129	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	3:2:2:2:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:O-2:O-2:O-2:	O(SiC[6a]OO)2	Si(C[6a]C[6a]2)(OSi)(OH)2	Si(C[6a]C[6a]2)(OSi)(OH)2	O(SiC[6a]OO)2	Si(C[6a]C[6a]2)(OSi)(OH)2	Si(C[6a]C[6a]2)(OSi)(OH)2	134.2870	2.722	2	134.2870	7.411	2	149.4493	78.855	111	148.6804	73.876	129	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	3:2:2:2:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:O-2:O-2:O-2:	O(SiC[6a]OO)2	Si(C[6a]C[6a]2)(OSi)2(OB)	Si(C[6a]C[6a]2)(OSi)3	O(SiC[6a]OO)2	Si(C[6a]C[6a]2)(OSi)2(OB)	Si(C[6a]C[6a]2)(OSi)3	149.8749	6.013	8	149.8749	36.159	8	149.4493	78.855	111	148.6804	73.876	129	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	3:2:2:2:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:O-2:O-2:O-2:	O(SiC[6a]OO)2	Si(C[6a]C[6a]2)(OSi)3	Si(C[6a]C[6a]2)(OSi)3	O(SiC[6a]OO)2	Si(C[6a]C[6a]2)(OSi)3	Si(C[6a]C[6a]2)(OSi)3	149.7158	8.914	101	149.7158	79.451	101	149.4493	78.855	111	148.6804	73.876	129	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	4:4:2:1:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C-4:C-4:O-2:H-1:	O(SiC[6a]OO)(SiCCH)	Si(C[6a]C[6a]2)(OSi)3	Si(CH3)2(OSi)(H)	O(SiC[6a]OO)(SiCCH)	Si(C[6a]C[6a]2)(OSi)3	Si(CH3)2(OSi)(H)	142.7440	7.068	2	142.7440	49.960	2	142.7440	49.960	2	142.7440	49.960	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	4:4:2:2:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C-4:C-4:O-2:C-2:	O(SiC[6a]OO)(SiC3)	Si(C[6a]C[6a]2)(OSi)3	Si(CH3)2(OSi)(CC)	O(SiC[6a]OO)(SiC3)	Si(C[6a]C[6a]2)(OSi)3	Si(CH3)2(OSi)(CC)	142.2030	1.159	4	142.2030	1.343	4	142.2030	1.343	4	144.7186	63.896	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	4:4:2:2:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiC[6a]OO)(SiCCO)	Si(C[6a]C[6a]2)(OSi)3	Si(CCHH)2(OSi)2	O(SiC[6a]OO)(SiCCO)	Si(C[6a]C[6a]2)(OSi)3	Si(CCHH)2(OSi)2	147.2343	11.440	4	147.2343	130.872	4	147.2343	130.872	4	144.7186	63.896	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	4:4:3:2:	Si-4:Si-4:	C[6a]-3:O-2:O-2:O-2:	C-4:C-4:C-3:O-2:	O(SiC[6a]OO)(SiC3)	Si(C[6a]C[6a]2)(OSi)3	Si(CH3)2(CCH)(OSi)	O(SiC[6a]OO)(SiC3)	Si(C[6a]C[6a]2)(OSi)3	Si(CH3)2(CCH)(OSi)	142.7660	6.629	4	142.7660	43.946	4	142.7660	43.946	4	142.7660	43.946	4	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:2:2:2:	4:4:4:2:	Si-4:Si-4:	C[5]-3:N-2:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiC[5]NO)(SiC3)	Si(C[5]N[5]2)(NC[6a])(OSi)(OP)	Si(CH3)3(OSi)	O(SiC[5]NO)(SiC3)	Si(C[5]N[5]2)(NC[6a])(OSi)(OP)	Si(CH3)3(OSi)	133.5040	0.000	1	133.5040	0.000	1	133.5040	0.000	1	133.5040	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:1:	3:3:3:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]2Cl)(SiC[6a]3)	Si(C[6a]C[6a]2)2(OSi)(Cl)	Si(C[6a]C[6a]2)3(OSi)	O(SiC[6a]2Cl)(SiC[6a]3)	Si(C[6a]C[6a]2)2(OSi)(Cl)	Si(C[6a]C[6a]2)3(OSi)	165.0760	0.000	1	165.0760	0.000	1	165.0760	0.000	1	165.0760	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:2:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:O-2:O-2:O-2:	O(SiC[6a]2O)(SiC[6a]OO)	Si(C[6a]C[6a]2)2(OSi)2	Si(C[6a]C[6a]2)(OSi)3	O(SiC[6a]2O)(SiC[6a]OO)	Si(C[6a]C[6a]2)2(OSi)2	Si(C[6a]C[6a]2)(OSi)3	150.9303	9.569	4	150.9303	91.558	4	150.9303	91.558	4	150.9303	91.558	4	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a,6a]C[6a])2(OSi)(OH)	Si(C[6a]C[6a,6a]C[6a])2(OSi)(OH)	O(SiC[6a]2O)2	Si(C[6a]C[6a,6a]C[6a])2(OSi)(OH)	Si(C[6a]C[6a,6a]C[6a])2(OSi)(OH)	168.0470	0.000	1	168.0470	0.000	1	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OBi)(OSi)	Si(C[6a]C[6a]2)2(OBi)(OSi)	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OBi)(OSi)	Si(C[6a]C[6a]2)2(OBi)(OSi)	133.0650	0.000	1	133.0650	0.000	1	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OMo)(OSi)	Si(C[6a]C[6a]2)2(OMo)(OSi)	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OMo)(OSi)	Si(C[6a]C[6a]2)2(OMo)(OSi)	161.7110	0.000	1	161.7110	0.000	1	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)(OH)	Si(C[6a]C[6a]2)2(OSi)(OH)	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)(OH)	Si(C[6a]C[6a]2)2(OSi)(OH)	162.3370	24.979	2	162.3370	623.963	2	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)(OH)	Si(C[6a]C[6a]2)2(OSi)2	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)(OH)	Si(C[6a]C[6a]2)2(OSi)2	155.0495	9.715	4	155.0495	94.380	4	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)(OTe)	Si(C[6a]C[6a]2)2(OSi)(OTe)	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)(OTe)	Si(C[6a]C[6a]2)2(OSi)(OTe)	167.1340	4.178	2	167.1340	17.452	2	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)2	Si(C[6a]C[6a]2)2(OSi)2	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OSi)2	Si(C[6a]C[6a]2)2(OSi)2	158.4497	4.386	4	158.4497	19.240	4	158.3841	139.760	15	158.3841	139.760	15	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	3:3:3:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]2O)(SiC[6a]3)	Si(C[6a]C[6a]2)2(OSi)(OC)	Si(C[6a]C[6a]2)3(OSi)	O(SiC[6a]2O)(SiC[6a]3)	Si(C[6a]C[6a]2)2(OSi)(OC)	Si(C[6a]C[6a]2)3(OSi)	150.7240	0.000	1	150.7240	0.000	1	150.7240	0.000	1	150.7240	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	4:4:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiC[6a]2O)(SiCCO)	Si(C[6a]C[6a]2)2(OSi)2	Si(CH3)2(OSi)2	O(SiC[6a]2O)(SiCCO)	Si(C[6a]C[6a]2)2(OSi)2	Si(CH3)2(OSi)2	141.9845	0.183	2	141.9845	0.034	2	141.9845	0.034	2	141.9845	0.034	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:2:2:	4:4:4:2:	Si-4:Si-4:	C[5]-3:P-3:N-2:O-2:	C-4:C-4:C-4:O-2:	O(SiC[5]NP)(SiC3)	Si(C[5]N[5]2)(PC[6a]2)(NC[6a])(OSi)	Si(CH3)3(OSi)	O(SiC[5]NP)(SiC3)	Si(C[5]N[5]2)(PC[6a]2)(NC[6a])(OSi)	Si(CH3)3(OSi)	141.0260	0.000	1	141.0260	0.000	1	141.0260	0.000	1	141.0260	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:3:2:	2:2:2:2:	Si-4:Si-4:	C-3:C-3:C-3:O-2:	O-2:O-2:O-2:O-2:	O(SiC3)(SiO3)	Si(CCH)3(OSi)	Si(OSi)4	O(SiC3)(SiO3)	Si(CCH)3(OSi)	Si(OSi)4	147.0550	4.141	4	147.0550	17.147	4	147.0550	17.147	4	147.0550	17.147	4	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:3:2:	3:2:2:1:	Si-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-2:H-1:	O(SiC[6a]3)(SiHNO)	Si(C[6a]C[6a]2)3(OSi)	Si(NC[6a]C)(OSi)2(H)	O(SiC[6a]3)(SiHNO)	Si(C[6a]C[6a]2)3(OSi)	Si(NC[6a]C)(OSi)2(H)	160.4375	6.520	2	160.4375	42.513	2	160.4375	42.513	2	160.4375	42.513	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:3:2:	3:3:3:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)2	Si(C[6a]C[6a]2)3(OSi)	Si(C[6a]C[6a]2)3(OSi)	O(SiC[6a]3)2	Si(C[6a]C[6a]2)3(OSi)	Si(C[6a]C[6a]2)3(OSi)	179.9805	0.038	4	179.9805	0.001	4	179.9805	0.001	4	161.0270	601.397	7	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:3:2:	3:3:3:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:N-3:O-2:	O(SiC[6a]2N)2	Si(C[6a]C[6a]2)2(NSiH)(OSi)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	O(SiC[6a]2N)2	Si(C[6a]C[6a]2)2(NSiH)(OSi)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	148.7950	0.000	1	148.7950	0.000	1	148.7950	0.000	1	161.0270	601.397	7	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:3:2:	3:3:3:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:O-3:O-2:	C[6a]-3:C[6a]-3:O-3:O-2:	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OFeLi)(OSi)	Si(C[6a]C[6a]2)2(OFeLi)(OSi)	O(SiC[6a]2O)2	Si(C[6a]C[6a]2)2(OFeLi)(OSi)	Si(C[6a]C[6a]2)2(OFeLi)(OSi)	129.2360	0.693	2	129.2360	0.480	2	129.2360	0.480	2	161.0270	601.397	7	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:3:2:	4:4:2:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:O-2:O-2:	O(SiC[6a]3)(SiCCO)	Si(C[6a]C[6a]2)3(OSi)	Si(CH3)2(OSi)2	O(SiC[6a]3)(SiCCO)	Si(C[6a]C[6a]2)3(OSi)	Si(CH3)2(OSi)2	156.4300	6.781	3	156.4300	45.987	3	156.4300	45.987	3	156.4300	45.987	3	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:4:2:	3:3:4:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)2	Si(C[6a]C[6a]2)2(CCHH)(OSi)	Si(C[6a]C[6a]2)2(CCHH)(OSi)	O(SiC[6a]2C)2	Si(C[6a]C[6a]2)2(CCHH)(OSi)	Si(C[6a]C[6a]2)2(CCHH)(OSi)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:3:4:2:	4:4:4:2:	Si-4:Si-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC[6a]2C)(SiC3)	Si(C[6a]C[6a]2)2(CH3)(OSi)	Si(CH3)3(OSi)	O(SiC[6a]2C)(SiC3)	Si(C[6a]C[6a]2)2(CH3)(OSi)	Si(CH3)3(OSi)	147.4110	0.000	1	147.4110	0.000	1	147.4110	0.000	1	147.4110	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:2:1:	4:4:4:2:	Si-4:Si-4:	C[5]-3:Si-4:O-2:O-1:	C-4:C-4:C-4:O-2:	O(SiC[5]SiO)(SiC3)	Si(C[5]N[5]2)(SiC3)(OSi)(O)	Si(CH3)3(OSi)	O(SiC[5]SiO)(SiC3)	Si(C[5]N[5]2)(SiC3)(OSi)(O)	Si(CH3)3(OSi)	137.4790	0.000	1	137.4790	0.000	1	137.4790	0.000	1	137.4790	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:2:2:	3:2:2:2:	Si-4:Si-4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:O-2:O-2:O-2:	O(SiC[6a]CO)(SiC[6a]OO)	Si(C[6a]C[6a]2)(CH3)(OSi)2	Si(C[6a]C[6a]2)(OSi)3	O(SiC[6a]CO)(SiC[6a]OO)	Si(C[6a]C[6a]2)(CH3)(OSi)2	Si(C[6a]C[6a]2)(OSi)3	155.8635	1.752	2	155.8635	3.068	2	155.8635	3.068	2	155.8635	3.068	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:2:2:	3:4:2:2:	Si-4:Si-4:	C[6a]-3:C-4:O-2:O-2:	C[6a]-3:C-4:O-2:O-2:	O(SiC[6a]CO)2	Si(C[6a]C[6a]2)(CCCH)(OSi)2	Si(C[6a]C[6a]2)(CCCH)(OSi)2	O(SiC[6a]CO)2	Si(C[6a]C[6a]2)(CCCH)(OSi)2	Si(C[6a]C[6a]2)(CCCH)(OSi)2	149.1900	2.373	2	149.1900	5.631	2	149.1900	5.631	2	149.1900	5.631	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:2:2:	4:2:2:2:	Si-4:Si-4:	C[6a]-3:C-4:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiC[6a]CO)(SiCOO)	Si(C[6a]C[6a]2)(CCCH)(OSi)2	Si(CCCH)(OSi)3	O(SiC[6a]CO)(SiCOO)	Si(C[6a]C[6a]2)(CCCH)(OSi)2	Si(CCCH)(OSi)3	150.9497	4.457	4	150.9497	19.860	4	150.9497	19.860	4	150.9497	19.860	4	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:2:2:	4:4:4:2:	Si-4:Si-4:	C[4]-3:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiC[4]CO)(SiC3)	Si(C[4]C[4]2)(CH3)(OSi)2	Si(CH3)3(OSi)	O(SiC[4]CO)(SiC3)	Si(C[4]C[4]2)(CH3)(OSi)2	Si(CH3)3(OSi)	152.3435	7.636	2	152.3435	58.309	2	152.3435	58.309	2	148.2387	43.545	4	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:2:2:	4:4:4:2:	Si-4:Si-4:	C[5]-3:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiC[5]CO)(SiC3)	Si(C[5]C[5]2)(CH3)(OSi)2	Si(CH3)3(OSi)	O(SiC[5]CO)(SiC3)	Si(C[5]C[5]2)(CH3)(OSi)2	Si(CH3)3(OSi)	144.1340	2.220	2	144.1340	4.930	2	144.1340	4.930	2	148.2387	43.545	4	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	2:4:4:2:	Si-4:Si-4:	N-3:C-4:C-4:O-2:	N-2:C-4:C-4:O-2:	O(SiCCN)2	Si(NC[6a]H)(CH3)2(OSi)	Si(NC[6a])(CH3)2(OSi)	O(SiCCN)2	Si(NC[6a]H)(CH3)2(OSi)	Si(NC[6a])(CH3)2(OSi)	144.3750	0.000	1	144.3750	0.000	1	144.3750	0.000	1	144.3750	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	C[5]-3:C-4:C-4:O-2:	C[5]-3:C-4:C-4:O-2:	O(SiC[5]CC)2	Si(C[5]C[5]2)(CH3)2(OSi)	Si(C[5]C[5]2)(CH3)2(OSi)	O(SiC[5]CC)2	Si(C[5]C[5]2)(CH3)2(OSi)	Si(C[5]C[5]2)(CH3)2(OSi)	143.8580	0.000	1	143.8580	0.000	1	143.8580	0.000	1	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	C[5a]-3:C-4:C-4:O-2:	C[5a]-3:C-4:C-4:O-2:	O(SiC[5a]CC)2	Si(C[5a]C[5a]S[5a])(CH3)2(OSi)	Si(C[5a]C[5a]S[5a])(CH3)2(OSi)	O(SiC[5a]CC)2	Si(C[5a]C[5a]S[5a])(CH3)2(OSi)	Si(C[5a]C[5a]S[5a])(CH3)2(OSi)	144.4860	0.000	1	144.4860	0.000	1	144.4860	0.000	1	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C-4:C-4:O-2:	O(SiC[6]CC)2	Si(C[6]C[6]N[6])(CH3)2(OSi)	Si(C[6]C[6]N[6])(CH3)2(OSi)	O(SiC[6]CC)2	Si(C[6]C[6]N[6])(CH3)2(OSi)	Si(C[6]C[6]N[6])(CH3)2(OSi)	145.8950	0.062	2	145.8950	0.004	2	145.8950	0.004	2	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C-4:C-4:O-2:	O(SiC[6a]CC)2	Si(C[6a]C[6a]2)(CH3)2(OSi)	Si(C[6a]C[6a]2)(CH3)2(OSi)	O(SiC[6a]CC)2	Si(C[6a]C[6a]2)(CH3)2(OSi)	Si(C[6a]C[6a]2)(CH3)2(OSi)	147.3231	4.089	10	147.3231	16.721	10	147.3231	16.721	10	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	N-3:C-4:C-4:O-2:	N-3:C-4:C-4:O-2:	O(SiCCN)2	Si(NC[6a]Bi)(CH3)2(OSi)	Si(NC[6a]Bi)(CH3)2(OSi)	O(SiCCN)2	Si(NC[6a]Bi)(CH3)2(OSi)	Si(NC[6a]Bi)(CH3)2(OSi)	141.7548	5.763	6	141.7548	33.206	6	141.1832	22.303	13	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	N-3:C-4:C-4:O-2:	N-3:C-4:C-4:O-2:	O(SiCCN)2	Si(NC[6a]H)(CH3)2(OSi)	Si(NC[6a]H)(CH3)2(OSi)	O(SiCCN)2	Si(NC[6a]H)(CH3)2(OSi)	Si(NC[6a]H)(CH3)2(OSi)	139.6660	0.000	1	139.6660	0.000	1	141.1832	22.303	13	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	N-3:C-4:C-4:O-2:	N-3:C-4:C-4:O-2:	O(SiCCN)2	Si(NC[6a]Pb)(CH3)2(OSi)	Si(NC[6a]Pb)(CH3)2(OSi)	O(SiCCN)2	Si(NC[6a]Pb)(CH3)2(OSi)	Si(NC[6a]Pb)(CH3)2(OSi)	134.8730	0.000	1	134.8730	0.000	1	141.1832	22.303	13	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	N-3:C-4:C-4:O-2:	N-3:C-4:C-4:O-2:	O(SiCCN)2	Si(NC[6a]Sb)(CH3)2(OSi)	Si(NC[6a]Sb)(CH3)2(OSi)	O(SiCCN)2	Si(NC[6a]Sb)(CH3)2(OSi)	Si(NC[6a]Sb)(CH3)2(OSi)	142.0628	3.662	5	142.0628	13.413	5	141.1832	22.303	13	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	3:4:4:2:	Si-4:Si-4:	O-3:C-4:C-4:O-2:	O-3:C-4:C-4:O-2:	O(SiCCO)2	Si(OCrLi)(CCCH)2(OSi)	Si(OCrLi)(CCCH)2(OSi)	O(SiCCO)2	Si(OCrLi)(CCCH)2(OSi)	Si(OCrLi)(CCCH)2(OSi)	131.0910	0.000	1	131.0910	0.000	1	131.0910	0.000	1	143.5656	29.648	28	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	3:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC[6a]CC)(SiC3)	Si(C[6a]C[6a]2)(CH3)2(OSi)	Si(CH3)3(OSi)	O(SiC[6a]CC)(SiC3)	Si(C[6a]C[6a]2)(CH3)2(OSi)	Si(CH3)3(OSi)	154.9635	2.965	2	154.9635	8.791	2	154.9635	8.791	2	154.9635	8.791	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:1:	4:2:2:1:	Si-4:Si-4:	C-4:O-2:O-2:O-1:	C-4:O-2:O-2:O-1:	O(SiCOO)2	Si(CCCH)(OSi)2(O)	Si(CCCH)(OSi)2(O)	O(SiCOO)2	Si(CCCH)(OSi)2(O)	Si(CCCH)(OSi)2(O)	152.6830	0.000	1	152.6830	0.000	1	152.6830	0.000	1	152.6830	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:1:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-1:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCCH)(OSi)2(O)	Si(CCCH)(OSi)3	O(SiCOO)2	Si(CCCH)(OSi)2(O)	Si(CCCH)(OSi)3	149.2605	4.151	2	149.2605	17.234	2	148.0425	7.725	4	148.0746	30.225	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:1:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-1:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCHH)(OSi)2(O)	Si(CCHH)(OSi)3	O(SiCOO)2	Si(CCHH)(OSi)2(O)	Si(CCHH)(OSi)3	146.8245	0.086	2	146.8245	0.007	2	148.0425	7.725	4	148.0746	30.225	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:1:	4:2:2:2:	Si-4:Si-4:	C[5]-4:O-2:O-2:O-1:	C[5]-4:O-2:O-2:O-2:	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OSi)2(O)	Si(C[5]C[5]2H)(OSi)3	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OSi)2(O)	Si(C[5]C[5]2H)(OSi)3	148.1068	7.924	4	148.1068	62.798	4	148.1068	62.798	4	148.0746	30.225	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CC3)(OSi)(OH)2	Si(CC3)(OSi)(OH)2	O(SiCOO)2	Si(CC3)(OSi)(OH)2	Si(CC3)(OSi)(OH)2	166.4990	0.000	1	166.4990	0.000	1	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CC3)(OSi)2(OH)	Si(CC3)(OSi)3	O(SiCOO)2	Si(CC3)(OSi)2(OH)	Si(CC3)(OSi)3	155.0645	3.862	2	155.0645	14.911	2	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CC3)(OSi)3	Si(CC3)(OSi)3	O(SiCOO)2	Si(CC3)(OSi)3	Si(CC3)(OSi)3	148.9612	2.386	12	148.9612	5.691	12	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCCH)(OSi)2(OH)	Si(CCCH)(OSi)2(OH)	O(SiCOO)2	Si(CCCH)(OSi)2(OH)	Si(CCCH)(OSi)2(OH)	156.8240	0.000	1	156.8240	0.000	1	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCCH)(OSi)2(OH)	Si(CCCH)(OSi)3	O(SiCOO)2	Si(CCCH)(OSi)2(OH)	Si(CCCH)(OSi)3	150.6910	1.380	2	150.6910	1.905	2	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCCH)(OSi)3	Si(CCCH)(OSi)3	O(SiCOO)2	Si(CCCH)(OSi)3	Si(CCCH)(OSi)3	146.0935	5.642	15	146.0935	31.828	15	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCHH)(OFe)(OSi)2	Si(CCHH)(OSi)3	O(SiCOO)2	Si(CCHH)(OFe)(OSi)2	Si(CCHH)(OSi)3	151.4100	9.349	6	151.4100	87.398	6	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCHH)(OPt)(OSi)2	Si(CCHH)(OSi)3	O(SiCOO)2	Si(CCHH)(OPt)(OSi)2	Si(CCHH)(OSi)3	152.5575	3.057	2	152.5575	9.344	2	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCHH)(OSi)(OH)2	Si(CCHH)(OSi)(OH)2	O(SiCOO)2	Si(CCHH)(OSi)(OH)2	Si(CCHH)(OSi)(OH)2	175.5250	0.000	1	175.5250	0.000	1	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCHH)(OSi)2(OH)	Si(CCHH)(OSi)3	O(SiCOO)2	Si(CCHH)(OSi)2(OH)	Si(CCHH)(OSi)3	150.1765	5.437	2	150.1765	29.560	2	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CCHH)(OSi)3	Si(CCHH)(OSi)3	O(SiCOO)2	Si(CCHH)(OSi)3	Si(CCHH)(OSi)3	146.3614	5.809	102	146.3614	33.746	102	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CH3)(OSi)2(OC)	Si(CH3)(OSi)2(OC)	O(SiCOO)2	Si(CH3)(OSi)2(OC)	Si(CH3)(OSi)2(OC)	150.3303	11.934	4	150.3303	142.428	4	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CH3)(OSi)2(OC)	Si(CH3)(OSi)3	O(SiCOO)2	Si(CH3)(OSi)2(OC)	Si(CH3)(OSi)3	146.0359	3.643	8	146.0359	13.268	8	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CH3)(OSi)2(OH)	Si(CH3)(OSi)2(OH)	O(SiCOO)2	Si(CH3)(OSi)2(OH)	Si(CH3)(OSi)2(OH)	144.7895	0.809	4	144.7895	0.655	4	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)2	Si(CH3)(OSi)3	Si(CH3)(OSi)3	O(SiCOO)2	Si(CH3)(OSi)3	Si(CH3)(OSi)3	147.9438	5.163	16	147.9438	26.661	16	147.4604	40.258	178	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C[5]-4:O-2:O-2:O-2:	C[5]-4:O-2:O-2:O-2:	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OPd)(OSi)2	Si(C[5]C[5]2H)(OSi)3	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OPd)(OSi)2	Si(C[5]C[5]2H)(OSi)3	152.9035	12.130	2	152.9035	147.147	2	148.9101	46.079	25	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C[5]-4:O-2:O-2:O-2:	C[5]-4:O-2:O-2:O-2:	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OPt)(OSi)2	Si(C[5]C[5]2H)(OSi)3	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OPt)(OSi)2	Si(C[5]C[5]2H)(OSi)3	149.8380	4.537	2	149.8380	20.583	2	148.9101	46.079	25	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C[5]-4:O-2:O-2:O-2:	C[5]-4:O-2:O-2:O-2:	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OSi)2(OH)	Si(C[5]C[5]2H)(OSi)3	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OSi)2(OH)	Si(C[5]C[5]2H)(OSi)3	149.6037	3.922	4	149.6037	15.384	4	148.9101	46.079	25	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C[5]-4:O-2:O-2:O-2:	C[5]-4:O-2:O-2:O-2:	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OSi)3	Si(C[5]C[5]2H)(OSi)3	O(SiC[5]OO)2	Si(C[5]C[5]2H)(OSi)3	Si(C[5]C[5]2H)(OSi)3	148.1679	7.276	17	148.1679	52.944	17	148.9101	46.079	25	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:2:2:2:	Si-4:Si-4:	C[6]-4:O-2:O-2:O-2:	C[6]-4:O-2:O-2:O-2:	O(SiC[6]OO)2	Si(C[6]C[6]2H)(OSi)3	Si(C[6]C[6]2H)(OSi)3	O(SiC[6]OO)2	Si(C[6]C[6]2H)(OSi)3	Si(C[6]C[6]2H)(OSi)3	148.2922	6.931	16	148.2922	48.042	16	148.2922	48.042	16	147.6867	41.305	219	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:4:4:2:	Si-4:Si-4:	C-4:O-2:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiCOO)(SiC3)	Si(CH3)(OSi)2(OH)	Si(CH3)3(OSi)	O(SiCOO)(SiC3)	Si(CH3)(OSi)2(OH)	Si(CH3)3(OSi)	158.0850	5.665	2	158.0850	32.096	2	158.0850	32.096	2	152.5263	108.744	3	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:2:2:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:O-2:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiC[5]OO)(SiC3)	Si(C[5]C[5]2H)(OSi)3	Si(CH3)3(OSi)	O(SiC[5]OO)(SiC3)	Si(C[5]C[5]2H)(OSi)3	Si(CH3)3(OSi)	141.4090	0.000	1	141.4090	0.000	1	141.4090	0.000	1	152.5263	108.744	3	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:3:2:2:	4:2:2:2:	Si-4:Si-4:	C[6]-4:O-3:O-2:O-2:	C[6]-4:O-2:O-2:O-2:	O(SiC[6]OO)2	Si(C[6]C[6]2H)(OOs2)(OSi)2	Si(C[6]C[6]2H)(OSi)3	O(SiC[6]OO)2	Si(C[6]C[6]2H)(OOs2)(OSi)2	Si(C[6]C[6]2H)(OSi)3	148.8245	7.070	2	148.8245	49.990	2	148.8245	49.990	2	148.8245	49.990	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	2:2:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	O-2:O-2:O-2:O-2:	O(SiCCO)(SiO3)	Si(CCHH)2(OSi)2	Si(OSi)4	O(SiCCO)(SiO3)	Si(CCHH)2(OSi)2	Si(OSi)4	144.6082	2.256	6	144.6082	5.088	6	144.6082	5.088	6	144.6082	5.088	6	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCCO)(SiCOO)	Si(CCCH)2(OSi)2	Si(CCCH)(OSi)3	O(SiCCO)(SiCOO)	Si(CCCH)2(OSi)2	Si(CCCH)(OSi)3	150.2845	1.130	4	150.2845	1.278	4	148.5039	4.826	8	148.5039	4.826	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:2:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:O-2:O-2:O-2:	O(SiCCO)(SiCOO)	Si(CH3)2(OSi)2	Si(CH3)(OSi)3	O(SiCCO)(SiCOO)	Si(CH3)2(OSi)2	Si(CH3)(OSi)3	146.7233	1.236	4	146.7233	1.527	4	148.5039	4.826	8	148.5039	4.826	8	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiCCO)2	Si(CCCH)2(OSi)2	Si(CCCH)2(OSi)2	O(SiCCO)2	Si(CCCH)2(OSi)2	Si(CCCH)2(OSi)2	156.0745	0.323	2	156.0745	0.104	2	151.7792	75.564	11	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiCCO)2	Si(CCHH)(CH3)(OSi)2	Si(CCHH)(CH3)(OSi)2	O(SiCCO)2	Si(CCHH)(CH3)(OSi)2	Si(CCHH)(CH3)(OSi)2	152.3303	2.872	3	152.3303	8.251	3	151.7792	75.564	11	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiCCO)2	Si(CCHH)(CH3)(OSi)2	Si(CH3)2(OSi)2	O(SiCCO)2	Si(CCHH)(CH3)(OSi)2	Si(CH3)2(OSi)2	156.1765	3.480	2	156.1765	12.108	2	151.7792	75.564	11	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiCCO)2	Si(CH3)2(OSi)(OSn)	Si(CH3)2(OSi)(OSn)	O(SiCCO)2	Si(CH3)2(OSi)(OSn)	Si(CH3)2(OSi)(OSn)	135.2010	1.045	2	135.2010	1.092	2	151.7792	75.564	11	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C-4:C-4:O-2:O-2:	C-4:C-4:O-2:O-2:	O(SiCCO)2	Si(CH3)2(OSi)2	Si(CH3)2(OSi)2	O(SiCCO)2	Si(CH3)2(OSi)2	Si(CH3)2(OSi)2	158.8380	0.143	2	158.8380	0.020	2	151.7792	75.564	11	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-4:O-2:O-2:	O(SiC[5]2O)2	Si(C[5]C[5]2Fe)2(OSi)(OC)	Si(C[5]C[5]2Fe)2(OSi)(OC)	O(SiC[5]2O)2	Si(C[5]C[5]2Fe)2(OSi)(OC)	Si(C[5]C[5]2Fe)2(OSi)(OC)	160.0100	0.000	1	160.0100	0.000	1	150.1586	52.741	5	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:2:2:	Si-4:Si-4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-4:O-2:O-2:	O(SiC[5]2O)2	Si(C[5]C[5]2Fe)2(OSi)(OH)	Si(C[5]C[5]2Fe)2(OSi)(OH)	O(SiC[5]2O)2	Si(C[5]C[5]2Fe)2(OSi)(OH)	Si(C[5]C[5]2Fe)2(OSi)(OH)	147.6958	5.467	4	147.6958	29.884	4	150.1586	52.741	5	151.2728	65.042	16	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:4:2:	Si-4:Si-4:	C-4:Si-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(SiSiCO)(SiC3)	Si(CC[6a]Si2)(SiC3)(OSi)(OH)	Si(CH3)3(OSi)	O(SiSiCO)(SiC3)	Si(CC[6a]Si2)(SiC3)(OSi)(OH)	Si(CH3)3(OSi)	151.8070	0.000	1	151.8070	0.000	1	151.8070	0.000	1	152.3685	0.631	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:2:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:C[5]-4:O-2:O-2:	C[5]-4:C[5]-4:C[5]-4:O-2:	O(SiC[5]2O)(SiC[5]3)	Si(C[5]C[5]2Fe)2(OSi)(OC)	Si(C[5]C[5]2Fe)3(OSi)	O(SiC[5]2O)(SiC[5]3)	Si(C[5]C[5]2Fe)2(OSi)(OC)	Si(C[5]C[5]2Fe)3(OSi)	152.9300	0.000	1	152.9300	0.000	1	152.9300	0.000	1	152.3685	0.631	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:3:2:	4:4:3:2:	Si-4:Si-4:	C[5]-4:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:C-3:O-2:	O(SiC[5]2C)2	Si(C[5]C[5]2Fe)2(CCH)(OSi)	Si(C[5]C[5]2Fe)2(CCH)(OSi)	O(SiC[5]2C)2	Si(C[5]C[5]2Fe)2(CCH)(OSi)	Si(C[5]C[5]2Fe)2(CCH)(OSi)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiC3)(SiO3)	Si(CC3)(CH3)2(OSi)	Si(OSi)4	O(SiC3)(SiO3)	Si(CC3)(CH3)2(OSi)	Si(OSi)4	140.0195	0.354	2	140.0195	0.126	2	140.0195	0.126	2	140.0195	0.126	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:2:2:	Si-4:Si-4:	C[5,6]-4:C-4:C-4:O-2:	C-4:C-4:O-2:O-2:	O(SiC[5,6]CC)(SiCCO)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	Si(CH3)2(OSi)2	O(SiC[5,6]CC)(SiCCO)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	Si(CH3)2(OSi)2	158.5445	0.588	2	158.5445	0.345	2	158.5445	0.345	2	158.5445	0.345	2	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CCHH)(CH3)2(OSi)	Si(CCHH)(CH3)2(OSi)	O(SiC3)2	Si(CCHH)(CH3)2(OSi)	Si(CCHH)(CH3)2(OSi)	153.9768	7.076	9	153.9768	50.075	9	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CCHN)(CH3)2(OSi)	Si(CCHN)(CH3)2(OSi)	O(SiC3)2	Si(CCHN)(CH3)2(OSi)	Si(CCHN)(CH3)2(OSi)	147.1040	0.000	1	147.1040	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CC[6a]HH)(CH3)2(OSi)	Si(CC[6a]HH)(CH3)2(OSi)	O(SiC3)2	Si(CC[6a]HH)(CH3)2(OSi)	Si(CC[6a]HH)(CH3)2(OSi)	159.0160	0.000	1	159.0160	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CCo2C)(CH3)2(OSi)	Si(CCo2C)(CH3)2(OSi)	O(SiC3)2	Si(CCo2C)(CH3)2(OSi)	Si(CCo2C)(CH3)2(OSi)	158.3260	0.000	1	158.3260	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CCoCH)(CH3)2(OSi)	Si(CCoCH)(CH3)2(OSi)	O(SiC3)2	Si(CCoCH)(CH3)2(OSi)	Si(CCoCH)(CH3)2(OSi)	126.5700	0.000	1	126.5700	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CFeCH)(CH3)2(OSi)	Si(CFeCH)(CH3)2(OSi)	O(SiC3)2	Si(CFeCH)(CH3)2(OSi)	Si(CFeCH)(CH3)2(OSi)	130.7444	4.928	5	130.7444	24.286	5	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CH3)3(OSi)	Si(CH3)3(OSi)	O(SiC3)2	Si(CH3)3(OSi)	Si(CH3)3(OSi)	150.3512	14.553	6	150.3512	211.795	6	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CHHP)(CH3)2(OSi)	Si(CHHP)(CH3)2(OSi)	O(SiC3)2	Si(CHHP)(CH3)2(OSi)	Si(CHHP)(CH3)2(OSi)	147.0505	6.810	2	147.0505	46.378	2	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CN[6]HH)(CClHH)(CH3)(OSi)	Si(CN[6]HH)(CClHH)(CH3)(OSi)	O(SiC3)2	Si(CN[6]HH)(CClHH)(CH3)(OSi)	Si(CN[6]HH)(CClHH)(CH3)(OSi)	180.0000	0.000	1	180.0000	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CN[6]HH)(CH3)2(OSi)	Si(CN[6]HH)(CH3)2(OSi)	O(SiC3)2	Si(CN[6]HH)(CH3)2(OSi)	Si(CN[6]HH)(CH3)2(OSi)	179.9990	0.000	1	179.9990	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CNiCH)(CH3)2(OSi)	Si(CNiCH)(CH3)2(OSi)	O(SiC3)2	Si(CNiCH)(CH3)2(OSi)	Si(CNiCH)(CH3)2(OSi)	127.1890	0.000	1	127.1890	0.000	1	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CPdCH)(CH3)2(OSi)	Si(CPdCH)(CH3)2(OSi)	O(SiC3)2	Si(CPdCH)(CH3)2(OSi)	Si(CPdCH)(CH3)2(OSi)	133.2905	3.499	6	133.2905	12.240	6	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)2	Si(CPtCH)(CH3)2(OSi)	Si(CPtCH)(CH3)2(OSi)	O(SiC3)2	Si(CPtCH)(CH3)2(OSi)	Si(CPtCH)(CH3)2(OSi)	132.8920	1.212	5	132.8920	1.469	5	144.4532	221.045	40	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[3]-4:Si-4:Si-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC[3]Si2)(SiC3)	Si(C[3]C[3]2C)(SiC3)2(OSi)	Si(CH3)3(OSi)	O(SiC[3]Si2)(SiC3)	Si(C[3]C[3]2C)(SiC3)2(OSi)	Si(CH3)3(OSi)	172.2570	0.000	1	172.2570	0.000	1	172.2570	0.000	1	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)2	Si(C[5]C[5]2Fe)(CCHH)(CH3)(OSi)	Si(C[5]C[5]2Fe)(CCHH)(CH3)(OSi)	O(SiC[5]CC)2	Si(C[5]C[5]2Fe)(CCHH)(CH3)(OSi)	Si(C[5]C[5]2Fe)(CCHH)(CH3)(OSi)	143.9800	0.099	2	143.9800	0.010	2	151.8830	80.238	9	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)2	Si(C[5]C[5]2Ni)(CH3)2(OSi)	Si(C[5]C[5]2Ni)(CH3)2(OSi)	O(SiC[5]CC)2	Si(C[5]C[5]2Ni)(CH3)2(OSi)	Si(C[5]C[5]2Ni)(CH3)2(OSi)	150.6930	0.000	1	150.6930	0.000	1	151.8830	80.238	9	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)2	Si(C[5]C[5]2Ru)(CH3)2(OSi)	Si(C[5]C[5]2Ru)(CH3)2(OSi)	O(SiC[5]CC)2	Si(C[5]C[5]2Ru)(CH3)2(OSi)	Si(C[5]C[5]2Ru)(CH3)2(OSi)	160.9505	14.856	2	160.9505	220.689	2	151.8830	80.238	9	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)2	Si(C[5]C[5]2Ti)(CH3)2(OSi)	Si(C[5]C[5]2Ti)(CH3)2(OSi)	O(SiC[5]CC)2	Si(C[5]C[5]2Ti)(CH3)2(OSi)	Si(C[5]C[5]2Ti)(CH3)2(OSi)	153.8800	0.000	1	153.8800	0.000	1	151.8830	80.238	9	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)2	Si(C[5]C[5]2Zr)(CH3)2(OSi)	Si(C[5]C[5]2Zr)(CH3)2(OSi)	O(SiC[5]CC)2	Si(C[5]C[5]2Zr)(CH3)2(OSi)	Si(C[5]C[5]2Zr)(CH3)2(OSi)	150.8377	7.848	3	150.8377	61.586	3	151.8830	80.238	9	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	P-4:C-4:C-4:O-2:	P-4:C-4:C-4:O-2:	O(SiCCP)2	Si(PC[6a]2Cr)(CH3)2(OSi)	Si(PC[6a]2Cr)(CH3)2(OSi)	O(SiCCP)2	Si(PC[6a]2Cr)(CH3)2(OSi)	Si(PC[6a]2Cr)(CH3)2(OSi)	149.4060	0.000	1	149.4060	0.000	1	149.4060	0.000	1	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	880	0:SP3_SP3_SP3	O	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	Si-4:C-4:C-4:O-2:	Si-4:Si-4:C-4:O-2:	O(SiSi2C)(SiSiCC)	Si(SiSi2C)(CH3)2(OSi)	Si(SiSi2C)2(CH3)(OSi)	O(SiSi2C)(SiSiCC)	Si(SiSi2C)(CH3)2(OSi)	Si(SiSi2C)2(CH3)(OSi)	151.3077	1.399	3	151.3077	1.956	3	151.3077	1.956	3	146.6789	196.876	54	148.5300	85.657	572	148.5300	85.657	572
893	880	881	0:SP3_SP3_SPD5	O	Si	Si[3,3]	5:4:	2:4:4:4:	5:2:2:2:2:	Si[3,3]-5:Si-4:	O-2:C-4:C-4:C-4:	Si[3,3]-5:O[3]-2:O[3]-2:O-2:O-2:	O(Si[3,3]Si[3,3]O[3]2O)(SiC3)	Si(OSi[3,3])(CC3)3	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	O(Si[3,3]Si[3,3]O[3]2O)(SiC3)	Si(OSi[3,3])(CC3)3	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	146.7600	0.000	1	146.7600	0.000	1	146.7600	0.000	1	146.7600	0.000	1	146.7600	0.000	1	146.7600	0.000	1
893	880	885	0:SP3_SP-NON_SP3	O	Si	Ga[5]	4:4:	2:4:4:4:	3:3:2:2:	Ga[5]-4:Si-4:	O-2:C-4:C-4:C-4:	N[5]-3:N[5]-3:O-2:N-2:	O(Ga[5]N[5]2N)(SiC3)	Si(OGa[5])(CH3)3	Ga[5](N[5]C[5,5]C[6a])2(OSi)(NN)	O(Ga[5]N[5]2N)(SiC3)	Si(OGa[5])(CH3)3	Ga[5](N[5]C[5,5]C[6a])2(OSi)(NN){6|C<3>}	132.2990	0.000	1	132.2990	0.000	1	132.2990	0.000	1	132.2990	0.000	1	132.2990	0.000	1	132.2990	0.000	1
893	880	887	0:SP3_SP3_SP3	O	Si	S	4:3:	3:3:4:2:	3:2:1:	Si-4:S-3:	C[6a]-3:C[6a]-3:Si-4:O-2:	C[6a]-3:O-2:O-1:	O(SiC[6a]2Si)(SC[6a]O)	Si(C[6a]C[6a]2)2(SiC[6a]2Cl)(OS)	S(C[6a]C[6a]2)(OSi)(O)	O(SiC[6a]2Si)(SC[6a]O)	Si(C[6a]C[6a]2)2(SiC[6a]2Cl)(OS)	S(C[6a]C[6a]2)(OSi)(O)	135.3190	1.092	2	135.3190	1.192	2	135.3190	1.192	2	135.3190	1.192	2	135.3190	1.192	2	135.3190	1.192	2
893	880	890	0:SP3_SP3_SP3	O	Si	As	4:4:	3:3:3:2:	3:2:2:1:	As-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:O-1:	O(AsC[6a]OO)(SiC[6a]3)	Si(C[6a]C[6a]2)3(OAs)	As(C[6a]C[6a]2)(OSi)(OH)(O)	O(AsC[6a]OO)(SiC[6a]3)	Si(C[6a]C[6a]2)3(OAs)	As(C[6a]C[6a]2)(OSi)(OH)(O)	140.7760	0.000	1	140.7760	0.000	1	140.7760	0.000	1	140.7760	0.000	1	140.7760	0.000	1	140.7760	0.000	1
893	880	892	0:SP3_SP3_SP3	O	Si	N	4:4:	4:2:2:1:	4:4:4:2:	Si-4:N-4:	C-4:O-2:O-2:H-1:	B-4:C-4:C-4:O-2:	O(SiCHO)(NBCC)	Si(CH3)(ON)2(H)	N(BH3)(CH3)2(OSi)	O(SiCHO)(NBCC)	Si(CH3)(ON)2(H)	N(BH3)(CH3)2(OSi)	124.3030	0.477	2	124.3030	0.227	2	124.3030	0.227	2	124.3030	0.227	2	124.3030	0.227	2	124.3030	0.227	2
893	880	893	0:SP3_SP3_SP3	O	Si	O	2:4:	4:4:4:2:	4:2:	O-2:Si-4:	C-4:C-4:C-4:O-2:	C[6]-4:O-2:	O(OC[6])(SiC3)	Si(CCHH)(CH3)2(OO)	O(C[6]C[6]2O)(OSi)	O(OC[6])(SiC3)	Si(CCHH)(CH3)2(OO)	O(C[6]C[6]2O)(OSi)	104.6060	0.154	2	104.6060	0.024	2	104.6060	0.024	2	104.6060	0.024	2	105.1744	1.174	10	105.1744	1.174	10
893	880	893	0:SP3_SP3_SP3	O	Si	O	4:2:	3:3:3:2:	2:1:	Si-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:H-1:	O(SiC[6a]3)(OH)	Si(C[6a]C[6a]2)3(OO)	O(OSi)(H)	O(SiC[6a]3)(OH)	Si(C[6a]C[6a]2)3(OO)	O(OSi)(H)	105.5700	1.334	2	105.5700	1.778	2	105.5700	1.778	2	105.5700	1.778	2	105.1744	1.174	10	105.1744	1.174	10
893	880	893	0:SP3_SP3_SP3	O	Si	O	4:2:	4:4:2:2:	4:2:	Si-4:O-2:	C-4:C-4:C-2:O-2:	C-4:O-2:	O(SiC3)(OC)	Si(CH3)2(CC)(OO)	O(CCCO)(OSi)	O(SiC3)(OC)	Si(CH3)2(CC)(OO)	O(CCCO)(OSi)	106.7270	0.499	2	106.7270	0.249	2	106.7270	0.249	2	106.7270	0.249	2	105.1744	1.174	10	105.1744	1.174	10
893	880	893	0:SP3_SP3_SP3	O	Si	O	4:2:	4:4:4:2:	4:2:	Si-4:O-2:	C-4:C-4:C-4:O-2:	C-4:O-2:	O(SiC3)(OC)	Si(CCHH)(CH3)2(OO)	O(CCCO)(OSi)	O(SiC3)(OC)	Si(CCHH)(CH3)2(OO)	O(CCCO)(OSi)	104.4845	0.525	4	104.4845	0.276	4	104.4845	0.276	4	104.4845	0.276	4	105.1744	1.174	10	105.1744	1.174	10
893	880	894	0:SP3_SP3_SPD6	O	Si	P[5,3x6]	6:4:	3:3:2:4:	3:3:3:3:2:2:	P[5,3x6]-6:Si-4:	C[6a]-3:C[6a]-3:O-2:C-4:	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)(SiC[6a]2C)	Si(C[6a]C[6a]2)2(OP[5,3x6])(CC3)	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OSi)2	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(SiC[6a]2C)	Si(C[6a]C[6a]2)2(OP[5,3x6])(CC3)	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OSi)2{11|C<3>}	160.3300	0.000	1	160.3300	0.000	1	160.3300	0.000	1	160.3300	0.000	1	156.5873	13.833	3	156.5873	13.833	3
893	880	894	0:SP3_SP3_SPD6	O	Si	P[5,3x6]	6:4:	3:3:3:2:	3:3:3:3:2:2:	P[5,3x6]-6:Si-4:	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)(SiC[6a]3)	Si(C[6a]C[6a]2)3(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(OSi)2	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(SiC[6a]3)	Si(C[6a]C[6a]2)3(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(OSi)2{3|N<2>,8|C<3>}	154.7160	2.580	2	154.7160	6.654	2	154.7160	6.654	2	154.7160	6.654	2	156.5873	13.833	3	156.5873	13.833	3
893	880	927	0:SP2_SP2_SP3	O	Si	B[6a]	3:4:	2:4:4:4:	3:3:2:	B[6a]-3:Si-4:	O-2:C-4:C-4:C-4:	C[6a,6a]-3:N[6a]-3:O-2:	O(B[6a]C[6a,6a]N[6a])(SiC3)	Si(OB[6a])(CH3)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi)	O(B[6a]C[6a,6a]N[6a])(SiC3)	Si(OB[6a])(CH3)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi){1|H<1>,4|C<3>}	138.6920	0.000	1	138.6920	0.000	1	138.6920	0.000	1	138.6920	0.000	1	138.6920	0.000	1	138.6920	0.000	1
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:2:2:	3:3:2:	C-3:Si-4:	C-4:C-4:O-2:O-2:	N[5]-3:C-3:O-2:	O(CN[5]C)(SiCCO)	Si(CC3)2(OC)2	C(N[5]C[5]2)(CCH)(OSi)	O(CN[5]C)(SiCCO)	Si(CC3)2(OC)2	C(N[5]C[5]2)(CCH)(OSi)	140.4995	0.112	2	140.4995	0.013	2	140.4995	0.013	2	140.4995	0.013	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:2:1:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[5]-3:O-2:O-1:	O(CC[5]O)(SiC3)	Si(CH3)3(OC)	C(C[5]N[5]2)(OSi)(O)	O(CC[5]O)(SiC3)	Si(CH3)3(OC)	C(C[5]N[5]2)(OSi)(O)	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	121.7003	2.710	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:2:1:	C-3:Si-4:	Si-4:C-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(SiSiCC)	Si(SiCCO)(CH3)2(OC)	C(C[6a]C[6a]2)(OSi)(O)	O(CC[6a]O)(SiSiCC)	Si(SiCCO)(CH3)2(OC)	C(C[6a]C[6a]2)(OSi)(O)	120.7505	0.081	2	120.7505	0.007	2	120.7505	0.007	2	121.7003	2.710	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:2:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	B[5a]-3:O-2:P-2:	O(CB[5a]P)(SiC3)	Si(CH3)3(OC)	C(B[5a]N[5a]2)(OSi)(PFe)	O(CB[5a]P)(SiC3)	Si(CH3)3(OC)	C(B[5a]N[5a]2)(OSi)(PFe)	141.0020	5.142	2	141.0020	26.441	2	141.0020	26.441	2	133.9652	80.893	4	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:2:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:N-2:O-2:	O(CC[6a]N)(SiC3)	Si(CH3)3(OC)	C(C[6a]C[6a]2)(NMo)(OSi)	O(CC[6a]N)(SiC3)	Si(CH3)3(OC)	C(C[6a]C[6a]2)(NMo)(OSi)	123.9140	0.000	1	123.9140	0.000	1	123.9140	0.000	1	133.9652	80.893	4	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:2:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:P-2:O-2:	O(CC[6a]P)(SiC3)	Si(CH3)3(OC)	C(C[6a]C[6a]2)(PC[6a])(OSi)	O(CC[6a]P)(SiC3)	Si(CH3)3(OC)	C(C[6a]C[6a]2)(PC[6a])(OSi)	129.9430	0.000	1	129.9430	0.000	1	129.9430	0.000	1	133.9652	80.893	4	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[5]-3:C-3:O-2:	O(CC[5]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[5]N[5,5]C[5])(COO)(OSi)	O(CC[5]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[5]N[5,5]C[5])(COO)(OSi)	127.7735	5.341	2	127.7735	28.524	2	127.7735	28.524	2	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C-3:O-2:	O(CC[6a]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[6a]C[6a]2)(CCH)(OSi)	O(CC[6a]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[6a]C[6a]2)(CCH)(OSi)	128.3200	3.528	2	128.3200	12.450	2	130.1820	16.626	3	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C-3:O-2:	O(CC[6a]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	O(CC[6a]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	133.9060	0.000	1	133.9060	0.000	1	130.1820	16.626	3	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6]-3:O-2:	O(CC[6a]C[6])(SiC3)	Si(CC3)(CH3)2(OC)	C(C[6a]C[6a]2)(C[6]C[6]2)(OSi)	O(CC[6a]C[6])(SiC3)	Si(CC3)(CH3)2(OC)	C(C[6a]C[6a]2)(C[6]C[6]2)(OSi)	127.8520	0.000	2	127.8520	0.000	2	127.8520	0.000	2	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:P-3:O-2:	O(CC[6a]P)(SiC3)	Si(CH3)3(OC)	C(C[6a]C[6a]2)(PZr2)(OSi)	O(CC[6a]P)(SiC3)	Si(CH3)3(OC)	C(C[6a]C[6a]2)(PZr2)(OSi)	127.7100	0.000	1	127.7100	0.000	1	127.7100	0.000	1	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	Ge[6]-3:C[6]-3:O-2:	O(CGe[6]C[6])(SiC3)	Si(CH3)3(OC)	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	O(CGe[6]C[6])(SiC3)	Si(CH3)3(OC)	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	128.0780	0.000	1	128.0780	0.000	1	128.0780	0.000	1	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	N[5]-3:C-3:O-2:	O(CN[5]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(N[5]C[5]2)(CCC)(OSi)	O(CN[5]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(N[5]C[5]2)(CCC)(OSi)	128.8960	0.000	1	128.8960	0.000	1	128.8960	0.000	1	128.6481	8.100	10	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	3:4:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[5]-3:C-4:O-2:	O(CC[5]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[5]C[5,6]C[5])(CC[6]HH)(OSi)	O(CC[5]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[5]C[5,6]C[5])(CC[6]HH)(OSi)	134.0505	5.058	2	134.0505	25.583	2	134.0505	25.583	2	134.0505	25.583	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	4:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[3]-4:C-3:O-2:	O(CC[3]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[3]C[3,5]C[3]C)(CHH)(OSi)	O(CC[3]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[3]C[3,5]C[3]C)(CHH)(OSi)	130.8410	0.000	1	130.8410	0.000	1	134.1987	8.630	3	132.5027	21.700	7	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	4:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[3]-4:C-3:O-2:	O(CC[3]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[3]C[3,6]2C)(CCH)(OSi)	O(CC[3]C)(SiC3)	Si(CC3)(CH3)2(OC)	C(C[3]C[3,6]2C)(CCH)(OSi)	135.8775	0.590	2	135.8775	0.349	2	134.1987	8.630	3	132.5027	21.700	7	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	4:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[3x6]-4:C-3:O-2:	O(CC[3x6]C)(SiC3)	Si(CH3)3(OC)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	O(CC[3x6]C)(SiC3)	Si(CH3)3(OC)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	139.6990	0.000	1	139.6990	0.000	1	139.6990	0.000	1	132.5027	21.700	7	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	3:4:	4:4:4:2:	4:3:2:	C-3:Si-4:	C-4:C-4:C-4:O-2:	C[5]-4:C-3:O-2:	O(CC[5]C)(SiC3)	Si(CCCH)3(OC)	C(C[5]C[5]2H)(CCH)(OSi)	O(CC[5]C)(SiC3)	Si(CCCH)3(OC)	C(C[5]C[5]2H)(CCH)(OSi)	128.4080	1.054	3	128.4080	1.111	3	128.4080	1.111	3	132.5027	21.700	7	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	2:2:2:2:	4:2:1:	Si-4:C-3:	O-2:O-2:O-2:O-2:	C-4:O-2:O-1:	O(SiO3)(CCO)	Si(OC)4	C(CH3)(OSi)(O)	O(SiO3)(CCO)	Si(OC)4	C(CH3)(OSi)(O)	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:2:2:1:	4:2:2:	Si-4:C-3:	C[6a]-3:O-2:O-2:H-1:	C-4:O-2:N-2:	O(SiC[6a]HO)(CCN)	Si(C[6a]C[6a]2)(OC)2(H)	C(CF3)(OSi)(NN)	O(SiC[6a]HO)(CCN)	Si(C[6a]C[6a]2)(OC)2(H)	C(CF3)(OSi)(NN)	112.2270	0.047	2	112.2270	0.002	2	112.2270	0.002	2	112.2270	0.002	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:2:2:	3:2:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:O-2:N-2:	O(SiC[6a]2O)(CC[6a]N)	Si(C[6a]C[6a]2)2(OC)2	C(C[6a]C[6a]2)(OSi)(NN)	O(SiC[6a]2O)(CC[6a]N)	Si(C[6a]C[6a]2)2(OC)2	C(C[6a]C[6a]2)(OSi)(NN)	129.8815	1.153	2	129.8815	1.330	2	129.8815	1.330	2	122.6920	69.447	4	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:2:2:	3:2:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:O-2:O-2:	N-3:O-2:N-2:	O(SiC[6a]2O)(CNN)	Si(C[6a]C[6a]2)2(OC)2	C(NCC)(OSi)(NN)	O(SiC[6a]2O)(CNN)	Si(C[6a]C[6a]2)2(OC)2	C(NCC)(OSi)(NN)	115.5025	0.504	2	115.5025	0.254	2	115.5025	0.254	2	122.6920	69.447	4	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:2:2:	4:2:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:O-2:O-2:	C-4:O-2:N-2:	O(SiC[6a]2O)(CCN)	Si(C[6a]C[6a]2)2(OC)2	C(CH3)(OSi)(NN)	O(SiC[6a]2O)(CCN)	Si(C[6a]C[6a]2)2(OC)2	C(CH3)(OSi)(NN)	119.3470	0.174	2	119.3470	0.030	2	119.3470	0.030	2	119.3470	0.030	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:3:2:	3:2:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-3:O-2:P-2:	O(SiC[6a]3)(CPP)	Si(C[6a]C[6a]2)3(OC)	C(PCC)(OSi)(PGe)	O(SiC[6a]3)(CPP)	Si(C[6a]C[6a]2)3(OC)	C(PCC)(OSi)(PGe)	131.6350	2.744	3	131.6350	7.532	3	131.6350	7.532	3	131.6350	7.532	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:4:2:	3:2:1:	Si-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:O-2:H-1:	O(SiC[6a]2C)(CCH)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(CCC)(OSi)(H)	O(SiC[6a]2C)(CCH)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(CCC)(OSi)(H)	127.8175	0.284	2	127.8175	0.080	2	127.8175	0.080	2	126.9763	2.163	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:4:2:	3:2:1:	Si-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:O-2:O-1:	O(SiC[6a]2C)(CC[6a]O)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(C[6a]C[6a]2)(OSi)(O)	O(SiC[6a]2C)(CC[6a]O)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(C[6a]C[6a]2)(OSi)(O)	125.2940	0.000	1	125.2940	0.000	1	125.2940	0.000	1	126.9763	2.163	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:4:2:	3:3:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	N[5]-3:C-3:O-2:	O(SiC[6a]2C)(CN[5]C)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(N[5]C[5]2)(CCH)(OSi)	O(SiC[6a]2C)(CN[5]C)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(N[5]C[5]2)(CCH)(OSi)	132.1735	2.269	2	132.1735	5.149	2	132.1735	5.149	2	132.1735	5.149	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:4:2:	3:4:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:C-4:O-2:	O(SiC[6a]2C)(CCC)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(CC[6a]C)(CCHH)(OSi)	O(SiC[6a]2C)(CCC)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(CC[6a]C)(CCHH)(OSi)	137.9750	0.000	1	137.9750	0.000	1	137.9750	0.000	1	134.9920	17.797	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	3:3:4:2:	3:4:2:	Si-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]C)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(C[6]C[6]2)(CCHH)(OSi)	O(SiC[6a]2C)(CC[6]C)	Si(C[6a]C[6a]2)2(CC3)(OC)	C(C[6]C[6]2)(CCHH)(OSi)	132.0090	0.000	1	132.0090	0.000	1	132.0090	0.000	1	134.9920	17.797	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:2:2:1:	4:2:2:	Si-4:C-3:	C[6]-4:O-2:O-2:Cl-1:	C-4:O-2:N-2:	O(SiC[6]ClO)(CCN)	Si(C[6]C[6]2H)(OC)2(Cl)	C(CF3)(OSi)(NN)	O(SiC[6]ClO)(CCN)	Si(C[6]C[6]2H)(OC)2(Cl)	C(CF3)(OSi)(NN)	114.6605	0.928	2	114.6605	0.862	2	114.6605	0.862	2	114.6605	0.862	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:2:2:	2:2:1:	Si-4:C-3:	C-4:C-4:O-2:O-2:	O-2:N-2:O-1:	O(SiCCO)(CNO)	Si(CH3)2(OC)2	C(OSi)(NC)(O)	O(SiCCO)(CNO)	Si(CH3)2(OC)2	C(OSi)(NC)(O)	119.2870	1.312	2	119.2870	1.722	2	119.2870	1.722	2	119.2870	1.722	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:2:2:	3:2:1:	Si-4:C-3:	C[5]-4:C[5]-4:O-2:O-2:	C-3:O-2:H-1:	O(SiC[5]2O)(CCH)	Si(C[5]C[5]2Fe)2(OSi)(OC)	C(CHH)(OSi)(H)	O(SiC[5]2O)(CCH)	Si(C[5]C[5]2Fe)2(OSi)(OC)	C(CHH)(OSi)(H)	129.0280	0.744	3	129.0280	0.554	3	129.0280	0.554	3	129.0280	0.554	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:2:2:	3:2:2:	Si-4:C-3:	C[5]-4:C[5]-4:O-2:O-2:	C-3:O-2:O-2:	O(SiC[5]2O)(CCO)	Si(C[5]C[5]2Fe)2(OC)2	C(CCC)(OSi)(OC)	O(SiC[5]2O)(CCO)	Si(C[5]C[5]2Fe)2(OC)2	C(CCC)(OSi)(OC)	133.7750	5.795	2	133.7750	33.587	2	133.7750	33.587	2	133.7750	33.587	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:2:2:	4:2:1:	Si-4:C-3:	C-4:C-4:O-2:O-2:	C-4:O-2:O-1:	O(SiCCO)(CCO)	Si(CC3)2(OC)2	C(CCHH)(OSi)(O)	O(SiCCO)(CCO)	Si(CC3)2(OC)2	C(CCHH)(OSi)(O)	140.9200	0.000	1	140.9200	0.000	1	140.9200	0.000	1	140.9200	0.000	1	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:2:2:	4:2:2:	Si-4:C-3:	C-4:C-4:O-2:O-2:	C-4:O-2:N-2:	O(SiCCO)(CCN)	Si(CH3)2(OC)2	C(CH3)(OSi)(NN)	O(SiCCO)(CCN)	Si(CH3)2(OC)2	C(CH3)(OSi)(NN)	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:3:2:	3:2:1:	Si-4:C-3:	C[5]-4:C[5]-4:C-3:O-2:	C-3:O-2:H-1:	O(SiC[5]2C)(CCH)	Si(C[5]C[5]2Fe)2(CCH)(OC)	C(CHH)(OSi)(H)	O(SiC[5]2C)(CCH)	Si(C[5]C[5]2Fe)2(CCH)(OC)	C(CHH)(OSi)(H)	128.7360	0.000	1	128.7360	0.000	1	128.7360	0.000	1	128.7360	0.000	1	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	2:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	O-2:O-2:H-1:	O(SiC3)(CHO)	Si(CCHH)3(OC)	C(OSi)(OB)(H)	O(SiC3)(CHO)	Si(CCHH)3(OC)	C(OSi)(OB)(H)	129.0250	0.000	1	129.0250	0.000	1	129.0250	0.000	1	129.0250	0.000	1	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	2:2:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	O-2:O-2:P-2:	O(SiC3)(COP)	Si(CH3)3(OC)	C(OSi)(OB)(PC)	O(SiC3)(COP)	Si(CH3)3(OC)	C(OSi)(OB)(PC)	127.2120	0.000	1	127.2120	0.000	1	130.0830	27.846	3	130.0830	27.846	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	2:2:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	O-2:O-2:P-2:	O(SiC3)(COP)	Si(CH3)3(OC)	C(OSi)2(PC)	O(SiC3)(COP)	Si(CH3)3(OC)	C(OSi)2(PC)	131.5185	6.582	2	131.5185	43.329	2	130.0830	27.846	3	130.0830	27.846	3	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-3:O-2:O-1:	O(SiC3)(CCO)	Si(CH3)3(OC)	C(CC[6]P)(OSi)(O)	O(SiC3)(CCO)	Si(CH3)3(OC)	C(CC[6]P)(OSi)(O)	121.1215	0.977	2	121.1215	0.954	2	122.6445	3.440	4	125.3460	34.363	9	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-3:O-2:O-1:	O(SiC3)(CCO)	Si(CH3)3(OC)	C(COO)(OSi)(O)	O(SiC3)(CCO)	Si(CH3)3(OC)	C(COO)(OSi)(O)	124.1675	0.299	2	124.1675	0.089	2	122.6445	3.440	4	125.3460	34.363	9	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	N-3:O-2:O-1:	O(SiC3)(CNO)	Si(CC3)3(OC)	C(NHH)(OSi)(O)	O(SiC3)(CNO)	Si(CC3)3(OC)	C(NHH)(OSi)(O)	134.9495	5.232	2	134.9495	27.373	2	127.5072	53.009	5	125.3460	34.363	9	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	N-3:O-2:O-1:	O(SiC3)(CNO)	Si(CH3)3(OC)	C(NC[6a]C)(OSi)(O)	O(SiC3)(CNO)	Si(CH3)3(OC)	C(NC[6a]C)(OSi)(O)	122.5275	0.187	2	122.5275	0.035	2	127.5072	53.009	5	125.3460	34.363	9	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	N-3:O-2:O-1:	O(SiC3)(CNO)	Si(CH3)3(OC)	C(NC[6a]H)(OSi)(O)	O(SiC3)(CNO)	Si(CH3)3(OC)	C(NC[6a]H)(OSi)(O)	122.5820	0.000	1	122.5820	0.000	1	127.5072	53.009	5	125.3460	34.363	9	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	N-3:O-2:O-2:	O(SiC3)(CNO)	Si(CCHH)3(OC)	C(NC[6a]C)(OSi)(OB)	O(SiC3)(CNO)	Si(CCHH)3(OC)	C(NC[6a]C)(OSi)(OB)	140.4690	0.000	1	140.4690	0.000	1	140.4690	0.000	1	140.4145	0.006	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:2:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	P-3:O-2:O-2:	O(SiC3)(COP)	Si(CH3)3(OC)	C(PSi2)(OSi)(OB)	O(SiC3)(COP)	Si(CH3)3(OC)	C(PSi2)(OSi)(OB)	140.3600	0.000	1	140.3600	0.000	1	140.3600	0.000	1	140.4145	0.006	2	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	3:4:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-3:C-4:O-2:	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CC[5]C)(CCHH)(OSi)	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CC[5]C)(CCHH)(OSi)	129.8347	1.237	4	129.8347	1.530	4	129.8347	1.530	4	129.8347	1.530	4	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	4:2:1:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-4:O-2:O-1:	O(SiC3)(CCO)	Si(CH3)3(OC)	C(CCHH)(OSi)(O)	O(SiC3)(CCO)	Si(CH3)3(OC)	C(CCHH)(OSi)(O)	123.6800	0.000	1	123.6800	0.000	1	123.6800	0.000	1	123.6800	0.000	1	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	4:3:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CCHH)(CCC)(OSi)	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CCHH)(CCC)(OSi)	129.0200	0.000	1	129.0200	0.000	1	128.1730	6.701	6	128.1730	6.701	6	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	4:3:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CCHO)(CCH)(OSi)	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CCHO)(CCH)(OSi)	126.3800	0.000	1	126.3800	0.000	1	128.1730	6.701	6	128.1730	6.701	6	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	4:3:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CC[5]CH)(CCH)(OSi)	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CC[5]CH)(CCH)(OSi)	125.3370	0.000	1	125.3370	0.000	1	128.1730	6.701	6	128.1730	6.701	6	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	4:3:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CC[5]HH)(CCH)(OSi)	O(SiC3)(CCC)	Si(CC3)(CH3)2(OC)	C(CC[5]HH)(CCH)(OSi)	126.2220	0.000	1	126.2220	0.000	1	128.1730	6.701	6	128.1730	6.701	6	128.2905	48.871	85	128.2905	48.871	85
893	880	930	0:SP2_SP2_SP3	O	Si	C	4:3:	4:4:4:2:	4:3:2:	Si-4:C-3:	C-4:C-4:C-4:O-2:	C-4:C-3:O-2:	O(SiC3)(CCC)	Si(CH3)3(OC)	C(CC3)(CHH)(OSi)	O(SiC3)(CCC)	Si(CH3)3(OC)	C(CC3)(CHH)(OSi)	131.0395	1.135	2	131.0395	1.288	2	128.1730	6.701	6	128.1730	6.701	6	128.2905	48.871	85	128.2905	48.871	85
893	880	940	0:SP3_SP-NON_SP3	O	Si	P	4:2:	3:3:3:2:	2:2:	Si-4:P-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-2:O-2:	O(SiC[6a]3)(PC)	Si(C[6a]C[6a]2)3(OP)	P(CC[5])(OSi)	O(SiC[6a]3)(PC)	Si(C[6a]C[6a]2)3(OP)	P(CC[5])(OSi)	134.5060	0.000	1	134.5060	0.000	1	134.5060	0.000	1	134.5060	0.000	1	135.8275	3.493	2	135.8275	3.493	2
893	880	940	0:SP3_SP-NON_SP3	O	Si	P	4:2:	4:4:4:2:	3:2:	Si-4:P-2:	C-4:C-4:C-4:O-2:	N-3:O-2:	O(SiC3)(PN)	Si(CH3)3(OP)	P(NSi2)(OSi)	O(SiC3)(PN)	Si(CH3)3(OP)	P(NSi2)(OSi)	137.1490	0.000	1	137.1490	0.000	1	137.1490	0.000	1	137.1490	0.000	1	135.8275	3.493	2	135.8275	3.493	2
893	880	941	0:SP2_SP2_SP3	O	Si	N	2:4:	2:2:2:2:	3:2:	N-2:Si-4:	O-2:O-2:O-2:O-2:	C[6]-3:O-2:	O(NC[6])(SiO3)	Si(ON)4	N(C[6]C[6]2)(OSi)	O(NC[6])(SiO3)	Si(ON)4	N(C[6]C[6]2)(OSi)	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	105.9032	5.712	4	105.9032	5.712	4
893	880	941	0:SP2_SP2_SP3	O	Si	N	4:2:	2:1:1:1:	3:2:	Si-4:N-2:	O-2:H-1:H-1:H-1:	C-3:O-2:	O(SiH3)(NC)	Si(ON)(H)3	N(CCC)(OSi)	O(SiH3)(NC)	Si(ON)(H)3	N(CCC)(OSi)	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	105.9032	5.712	4	105.9032	5.712	4
893	880	941	0:SP2_SP2_SP3	O	Si	N	4:2:	2:2:1:1:	3:2:	Si-4:N-2:	O-2:O-2:H-1:H-1:	C-3:O-2:	O(SiHHO)(NC)	Si(ON)2(H)2	N(CCC)(OSi)	O(SiHHO)(NC)	Si(ON)2(H)2	N(CCC)(OSi)	104.9925	3.550	2	104.9925	12.605	2	104.9925	12.605	2	104.9925	12.605	2	105.9032	5.712	4	105.9032	5.712	4
893	880	943	0:SP3_SP-NON_SP3	O	Si	Ga[6]	4:4:	2:2:2:2:	3:3:3:2:	Ga[6]-4:Si-4:	O-2:O-2:O-2:O-2:	N[6]-3:N[6]-3:N-3:O-2:	O(Ga[6]N[6]2N)(SiO3)	Si(OGa[6])(OC)2(OH)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	O(Ga[6]N[6]2N)(SiO3)	Si(OGa[6])(OC)2(OH)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	136.5910	0.000	1	136.5910	0.000	1	136.5910	0.000	1	136.5910	0.000	1	136.5910	0.000	1	136.5910	0.000	1
893	880	945	0:SP3_SP3_SP3	O	Si	P	4:3:	3:2:2:2:	3:3:2:	Si-4:P-3:	C[5]-3:N-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(SiC[5]NO)(PC[6a]2)	Si(C[5]N[5]2)(NC[6a])(OSi)(OP)	P(C[6a]C[6a]2)2(OSi)	O(SiC[5]NO)(PC[6a]2)	Si(C[5]N[5]2)(NC[6a])(OSi)(OP)	P(C[6a]C[6a]2)2(OSi)	135.4780	0.000	1	135.4780	0.000	1	135.4780	0.000	1	135.4780	0.000	1	135.4780	0.000	1	135.4780	0.000	1
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	2:2:2:2:	2:	Si-4:H-1:	O-2:O-2:O-2:O-2:	O-2:	O(SiO3)(H)	Si(OC)3(OH)	H(OSi)	O(SiO3)(H)	Si(OC)3(OH)	H(OSi)	109.4640	0.000	1	109.4640	0.000	1	118.4890	162.901	2	118.4890	162.901	2	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	2:2:2:2:	2:	Si-4:H-1:	O-2:O-2:O-2:O-2:	O-2:	O(SiO3)(H)	Si(OGa[6])(OC)2(OH)	H(OSi)	O(SiO3)(H)	Si(OGa[6])(OC)2(OH)	H(OSi)	127.5140	0.000	1	127.5140	0.000	1	118.4890	162.901	2	118.4890	162.901	2	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	2:4:3:2:	2:	Si-4:H-1:	N-2:Si-4:C-3:O-2:	O-2:	O(SiSiCN)(H)	Si(NC[5])(SiC3)(CCH)(OH)	H(OSi)	O(SiSiCN)(H)	Si(NC[5])(SiC3)(CCH)(OH)	H(OSi)	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	2:4:4:2:	2:	Si-4:H-1:	O-2:C-4:C-4:O-2:	O-2:	O(SiCCO)(H)	Si(OC[5])(CC3)2(OH)	H(OSi)	O(SiCCO)(H)	Si(OC[5])(CC3)2(OH)	H(OSi)	118.7667	6.983	3	118.7667	48.760	3	118.7667	48.760	3	118.7667	48.760	3	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:2:1:1:	2:	Si-4:H-1:	N-3:O-2:O-1:O-1:	O-2:	O(SiNOO)(H)	Si(NC[6a]Si)(OH)(O)2	H(OSi)	O(SiNOO)(H)	Si(NC[6a]Si)(OH)(O)2	H(OSi)	114.5422	4.376	10	114.5422	19.151	10	114.5422	19.151	10	114.5422	19.151	10	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:2:2:1:	2:	Si-4:H-1:	N-3:O-2:O-2:O-1:	O-2:	O(SiNOO)(H)	Si(NC[6a]Si)(OH)2(O)	H(OSi)	O(SiNOO)(H)	Si(NC[6a]Si)(OH)2(O)	H(OSi)	114.9317	2.434	8	114.9317	5.924	8	114.9317	5.924	8	114.9317	5.924	8	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:2:2:2:	2:	Si-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(SiC[6a]OO)(H)	Si(C[6a]C[6a]2)(OSi)(OH)2	H(OSi)	O(SiC[6a]OO)(H)	Si(C[6a]C[6a]2)(OSi)(OH)2	H(OSi)	114.2390	4.112	8	114.2390	16.907	8	114.2390	16.907	8	114.3974	41.721	22	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:2:2:2:	2:	Si-4:H-1:	C[6a]-3:Se-2:O-2:O-2:	O-2:	O(SiC[6a]SeO)(H)	Si(C[6a]C[6a]2)(SePt)(OH)2	H(OSi)	O(SiC[6a]SeO)(H)	Si(C[6a]C[6a]2)(SePt)(OH)2	H(OSi)	109.5160	0.058	2	109.5160	0.003	2	109.5160	0.003	2	114.3974	41.721	22	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:2:2:2:	2:	Si-4:H-1:	N-3:O-2:O-2:O-2:	O-2:	O(SiNOO)(H)	Si(NC[6a]Si)(OH)3	H(OSi)	O(SiNOO)(H)	Si(NC[6a]Si)(OH)3	H(OSi)	115.3165	7.976	12	115.3165	63.618	12	115.3165	63.618	12	114.3974	41.721	22	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:2:4:2:	2:	Si-4:H-1:	C[6a]-3:O-2:C-4:O-2:	O-2:	O(SiC[6a]CO)(H)	Si(C[6a]C[6a]2)(OC[6])(CC3)(OH)	H(OSi)	O(SiC[6a]CO)(H)	Si(C[6a]C[6a]2)(OC[6])(CC3)(OH)	H(OSi)	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	109.4310	0.000	1	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:1:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O-2:	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]C[6a])2(OH)(O)	H(OSi)	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]C[6a])2(OH)(O)	H(OSi)	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O-2:	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]2)2(OH)2	H(OSi)	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]2)2(OH)2	H(OSi)	115.1265	2.087	2	115.1265	4.354	2	114.9630	23.072	34	114.5551	28.215	35	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O-2:	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]C[6a])2(OH)2	H(OSi)	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]C[6a])2(OH)2	H(OSi)	115.9005	2.111	6	115.9005	4.458	6	114.9630	23.072	34	114.5551	28.215	35	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O-2:	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]C[6a])2(OSi)(OH)	H(OSi)	O(SiC[6a]2O)(H)	Si(C[6a]C[6a,6a]C[6a])2(OSi)(OH)	H(OSi)	120.6510	2.998	2	120.6510	8.989	2	114.9630	23.072	34	114.5551	28.215	35	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O-2:	O(SiC[6a]2O)(H)	Si(C[6a]C[6a]2)2(OH)2	H(OSi)	O(SiC[6a]2O)(H)	Si(C[6a]C[6a]2)2(OH)2	H(OSi)	116.6208	4.976	16	116.6208	24.756	16	114.9630	23.072	34	114.5551	28.215	35	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O-2:	O(SiC[6a]2O)(H)	Si(C[6a]C[6a]2)2(OSi)(OH)	H(OSi)	O(SiC[6a]2O)(H)	Si(C[6a]C[6a]2)2(OSi)(OH)	H(OSi)	109.4814	0.031	8	109.4814	0.001	8	114.9630	23.072	34	114.5551	28.215	35	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:2:2:	2:	Si-4:H-1:	N-3:N-3:O-2:O-2:	O-2:	O(SiNNO)(H)	Si(NB[5a]Si)2(OC)(OH)	H(OSi)	O(SiNNO)(H)	Si(NB[5a]Si)2(OC)(OH)	H(OSi)	100.6880	0.000	1	100.6880	0.000	1	100.6880	0.000	1	114.5551	28.215	35	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:3:2:	2:	Si-4:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:	O(SiC[5a]C[6a]2)(H)	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	H(OSi)	O(SiC[5a]C[6a]2)(H)	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(OH)	H(OSi)	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.4807	0.001	10	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:3:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:	O(SiC[6a]3)(H)	Si(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	H(OSi)	O(SiC[6a]3)(H)	Si(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(OH)	H(OSi)	109.5130	0.000	1	109.5130	0.000	1	109.4782	0.001	9	109.4807	0.001	10	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:3:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:	O(SiC[6a]3)(H)	Si(C[6a]C[6a]2)3(OH)	H(OSi)	O(SiC[6a]3)(H)	Si(C[6a]C[6a]2)3(OH)	H(OSi)	109.4739	0.033	8	109.4739	0.001	8	109.4782	0.001	9	109.4807	0.001	10	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:4:2:	2:	Si-4:H-1:	C[6a]-3:C-3:C-4:O-2:	O-2:	O(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CC[6a]C[5])(CC3)(OH)	H(OSi)	O(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CC[6a]C[5])(CC3)(OH)	H(OSi)	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	111.2780	134.808	2	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:3:4:2:	2:	Si-4:H-1:	C[6a]-3:C[6a]-3:Si-4:O-2:	O-2:	O(SiC[6a]2Si)(H)	Si(C[6a]C[6a]2)2(SiC[6a]2H)(OH)	H(OSi)	O(SiC[6a]2Si)(H)	Si(C[6a]C[6a]2)2(SiC[6a]2H)(OH)	H(OSi)	103.0680	0.000	1	103.0680	0.000	1	103.0680	0.000	1	111.2780	134.808	2	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:4:2:2:	2:	Si-4:H-1:	C[6a]-3:C-4:O-2:O-2:	O-2:	O(SiC[6a]CO)(H)	Si(C[6a]C[6a]2)(CCCH)(OH)2	H(OSi)	O(SiC[6a]CO)(H)	Si(C[6a]C[6a]2)(CCCH)(OH)2	H(OSi)	109.4720	0.069	2	109.4720	0.005	2	109.4720	0.005	2	109.4720	0.005	2	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:4:4:2:	2:	Si-4:H-1:	C-3:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CC[6a]C[5])(CH3)2(OH)	H(OSi)	O(SiC3)(H)	Si(CC[6a]C[5])(CH3)2(OH)	H(OSi)	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	112.7229	35.567	23	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:4:4:2:	2:	Si-4:H-1:	C[6a]-3:C-4:C-4:O-2:	O-2:	O(SiC[6a]CC)(H)	Si(C[6a]C[5,6a]C[6a])(CH3)2(OH)	H(OSi)	O(SiC[6a]CC)(H)	Si(C[6a]C[5,6a]C[6a])(CH3)2(OH)	H(OSi)	113.0990	0.000	1	113.0990	0.000	1	112.6715	37.197	22	112.7229	35.567	23	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:4:4:2:	2:	Si-4:H-1:	C[6a]-3:C-4:C-4:O-2:	O-2:	O(SiC[6a]CC)(H)	Si(C[6a]C[6a,6a]C[6a])(CH3)2(OH)	H(OSi)	O(SiC[6a]CC)(H)	Si(C[6a]C[6a,6a]C[6a])(CH3)2(OH)	H(OSi)	109.5083	0.159	3	109.5083	0.025	3	112.6715	37.197	22	112.7229	35.567	23	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:4:4:2:	2:	Si-4:H-1:	C[6a]-3:C-4:C-4:O-2:	O-2:	O(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CCCH)2(OH)	H(OSi)	O(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CCCH)2(OH)	H(OSi)	115.0222	7.529	12	115.0222	56.679	12	112.6715	37.197	22	112.7229	35.567	23	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	3:4:4:2:	2:	Si-4:H-1:	C[6a]-3:C-4:C-4:O-2:	O-2:	O(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CH3)2(OH)	H(OSi)	O(SiC[6a]CC)(H)	Si(C[6a]C[6a]2)(CH3)2(OH)	H(OSi)	109.4803	0.038	6	109.4803	0.001	6	112.6715	37.197	22	112.7229	35.567	23	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C-4:O-2:O-2:O-2:	O-2:	O(SiCOO)(H)	Si(CC3)(OSi)(OH)2	H(OSi)	O(SiCOO)(H)	Si(CC3)(OSi)(OH)2	H(OSi)	109.4530	0.018	2	109.4530	0.000	2	116.2638	40.160	13	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C-4:O-2:O-2:O-2:	O-2:	O(SiCOO)(H)	Si(CC3)(OSi)2(OH)	H(OSi)	O(SiCOO)(H)	Si(CC3)(OSi)2(OH)	H(OSi)	113.7470	0.000	1	113.7470	0.000	1	116.2638	40.160	13	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C-4:O-2:O-2:O-2:	O-2:	O(SiCOO)(H)	Si(CCCH)(OSi)2(OH)	H(OSi)	O(SiCOO)(H)	Si(CCCH)(OSi)2(OH)	H(OSi)	119.9030	7.954	2	119.9030	63.259	2	116.2638	40.160	13	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C-4:O-2:O-2:O-2:	O-2:	O(SiCOO)(H)	Si(CCHH)(OSi)(OH)2	H(OSi)	O(SiCOO)(H)	Si(CCHH)(OSi)(OH)2	H(OSi)	122.3680	5.924	2	122.3680	35.095	2	116.2638	40.160	13	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C-4:O-2:O-2:O-2:	O-2:	O(SiCOO)(H)	Si(CCHH)(OSi)2(OH)	H(OSi)	O(SiCOO)(H)	Si(CCHH)(OSi)2(OH)	H(OSi)	117.3450	0.000	1	117.3450	0.000	1	116.2638	40.160	13	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C-4:O-2:O-2:O-2:	O-2:	O(SiCOO)(H)	Si(CH3)(OSi)2(OH)	H(OSi)	O(SiCOO)(H)	Si(CH3)(OSi)2(OH)	H(OSi)	115.3780	6.678	5	115.3780	44.589	5	116.2638	40.160	13	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	C[5]-4:O-2:O-2:O-2:	O-2:	O(SiC[5]OO)(H)	Si(C[5]C[5]2H)(OSi)2(OH)	H(OSi)	O(SiC[5]OO)(H)	Si(C[5]C[5]2H)(OSi)2(OH)	H(OSi)	125.0550	4.723	2	125.0550	22.311	2	125.0550	22.311	2	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:2:2:2:	2:	Si-4:H-1:	Si-4:N-2:O-2:O-2:	O-2:	O(SiSiNO)(H)	Si(SiSi3)(NC[5])(OC)(OH)	H(OSi)	O(SiSiNO)(H)	Si(SiSi3)(NC[5])(OC)(OH)	H(OSi)	115.2320	0.000	1	115.2320	0.000	1	115.2320	0.000	1	117.2982	42.850	16	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:3:3:2:	2:	Si-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	O-2:	O(SiC[6a]2C[5])(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(OSi)	O(SiC[6a]2C[5])(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	H(OSi)	119.7563	5.628	3	119.7563	31.678	3	119.7563	31.678	3	119.7563	31.678	3	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:2:2:	2:	Si-4:H-1:	C-4:C-4:O-2:O-2:	O-2:	O(SiCCO)(H)	Si(CC3)2(OH)2	H(OSi)	O(SiCCO)(H)	Si(CC3)2(OH)2	H(OSi)	118.2892	5.874	4	118.2892	34.505	4	118.2892	34.505	4	112.8031	33.001	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:2:2:	2:	Si-4:H-1:	C-4:Si-4:O-2:O-2:	O-2:	O(SiSiCO)(H)	Si(CC[6a]Si2)(SiC3)(OSi)(OH)	H(OSi)	O(SiSiCO)(H)	Si(CC[6a]Si2)(SiC3)(OSi)(OH)	H(OSi)	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	112.8031	33.001	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:2:2:	2:	Si-4:H-1:	C[5]-4:C[5]-4:O-2:O-2:	O-2:	O(SiC[5]2O)(H)	Si(C[5]C[5]2Fe)2(OSi)(OH)	H(OSi)	O(SiC[5]2O)(H)	Si(C[5]C[5]2Fe)2(OSi)(OH)	H(OSi)	111.3079	5.168	8	111.3079	26.713	8	110.9396	21.380	10	112.8031	33.001	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:2:2:	2:	Si-4:H-1:	C[5]-4:C[5]-4:O-2:O-2:	O-2:	O(SiC[5]2O)(H)	Si(C[5]C[5]2H)2(OH)2	H(OSi)	O(SiC[5]2O)(H)	Si(C[5]C[5]2H)2(OH)2	H(OSi)	109.4665	0.005	2	109.4665	0.000	2	110.9396	21.380	10	112.8031	33.001	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:3:2:	2:	Si-4:H-1:	C[5]-4:C[5]-4:C-3:O-2:	O-2:	O(SiC[5]2C)(H)	Si(C[5]C[5]2Fe)2(CCH)(OH)	H(OSi)	O(SiC[5]2C)(H)	Si(C[5]C[5]2Fe)2(CCH)(OH)	H(OSi)	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	109.4600	0.000	1	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CC3)(CH3)2(OH)	H(OSi)	O(SiC3)(H)	Si(CC3)(CH3)2(OH)	H(OSi)	109.4430	0.033	2	109.4430	0.001	2	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CC3)2(CH3)(OH)	H(OSi)	O(SiC3)(H)	Si(CC3)2(CH3)(OH)	H(OSi)	120.2933	1.952	4	120.2933	3.809	4	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CCCH)2(CC3)(OH)	H(OSi)	O(SiC3)(H)	Si(CCCH)2(CC3)(OH)	H(OSi)	119.6320	0.000	1	119.6320	0.000	1	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CCCH)3(OH)	H(OSi)	O(SiC3)(H)	Si(CCCH)3(OH)	H(OSi)	119.3380	0.000	1	119.3380	0.000	1	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CC[5x3,5x5,20x6]HH)(CH3)2(OH)	H(OSi)	O(SiC3)(H)	Si(CC[5x3,5x5,20x6]HH)(CH3)2(OH)	H(OSi)	109.4835	0.016	2	109.4835	0.000	2	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CC[6a]2H)2(CH3)(OH)	H(OSi)	O(SiC3)(H)	Si(CC[6a]2H)2(CH3)(OH)	H(OSi)	115.3930	0.000	1	115.3930	0.000	1	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(SiC3)(H)	Si(CC[6a]HH)(CH3)2(OH)	H(OSi)	O(SiC3)(H)	Si(CC[6a]HH)(CH3)2(OH)	H(OSi)	112.3185	6.059	2	112.3185	36.714	2	115.2328	28.079	13	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	C[6]-4:C-4:C-4:O-2:	O-2:	O(SiC[6]CC)(H)	Si(C[6]C[6]2H)(CC3)2(OH)	H(OSi)	O(SiC[6]CC)(H)	Si(C[6]C[6]2H)(CC3)2(OH)	H(OSi)	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	951	0:SP3_SP-NON_SP3	O	Si	H	4:1:	4:4:4:2:	2:	Si-4:H-1:	Si-4:Si-4:C-4:O-2:	O-2:	O(SiSi2C)(H)	Si(SiSi2C)2(CCHH)(OH)	H(OSi)	O(SiSi2C)(H)	Si(SiSi2C)2(CCHH)(OH)	H(OSi)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	115.1239	27.643	15	114.2223	32.918	170	114.2223	32.918	170
893	880	952	0:SP3_SP3_SP3	O	Si	S	4:4:	3:3:3:2:	4:2:1:1:	Si-4:S-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:O-1:	O(SiC[6a]3)(SCOO)	Si(C[6a]C[6a]2)3(OS)	S(CF3)(OSi)(O)2	O(SiC[6a]3)(SCOO)	Si(C[6a]C[6a]2)3(OS)	S(CF3)(OSi)(O)2	129.0580	0.000	1	129.0580	0.000	1	129.0580	0.000	1	129.0580	0.000	1	133.1340	14.646	7	133.1340	14.646	7
893	880	952	0:SP3_SP3_SP3	O	Si	S	4:4:	3:3:4:2:	3:2:1:1:	Si-4:S-4:	C[6a]-3:C[6a]-3:Si-4:O-2:	C[6a]-3:O-2:O-1:O-1:	O(SiC[6a]2Si)(SC[6a]OO)	Si(C[6a]C[6a]2)2(SiC[6a]2H)(OS)	S(C[6a]C[6a]2)(OSi)(O)2	O(SiC[6a]2Si)(SC[6a]OO)	Si(C[6a]C[6a]2)2(SiC[6a]2H)(OS)	S(C[6a]C[6a]2)(OSi)(O)2	140.8230	0.000	1	140.8230	0.000	1	140.8230	0.000	1	140.8230	0.000	1	133.1340	14.646	7	133.1340	14.646	7
893	880	952	0:SP3_SP3_SP3	O	Si	S	4:4:	3:4:4:2:	4:2:1:1:	Si-4:S-4:	N-3:C-4:C-4:O-2:	C-4:O-2:O-1:O-1:	O(SiCCN)(SCOO)	Si(NC[6a]As)(CH3)2(OS)	S(CF3)(OSi)(O)2	O(SiCCN)(SCOO)	Si(NC[6a]As)(CH3)2(OS)	S(CF3)(OSi)(O)2	131.7860	0.000	1	131.7860	0.000	1	131.3420	0.394	2	131.3420	0.394	2	133.1340	14.646	7	133.1340	14.646	7
893	880	952	0:SP3_SP3_SP3	O	Si	S	4:4:	3:4:4:2:	4:2:1:1:	Si-4:S-4:	N-3:C-4:C-4:O-2:	C-4:O-2:O-1:O-1:	O(SiCCN)(SCOO)	Si(NC[6a]Sb)(CH3)2(OS)	S(CF3)(OSi)(O)2	O(SiCCN)(SCOO)	Si(NC[6a]Sb)(CH3)2(OS)	S(CF3)(OSi)(O)2	130.8980	0.000	1	130.8980	0.000	1	131.3420	0.394	2	131.3420	0.394	2	133.1340	14.646	7	133.1340	14.646	7
893	880	952	0:SP3_SP3_SP3	O	Si	S	4:4:	4:4:4:2:	4:2:1:1:	S-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:O-2:O-1:O-1:	O(SCOO)(SiC3)	Si(CSi2Sn)(CH3)2(OS)	S(CF3)(OSi)(O)2	O(SCOO)(SiC3)	Si(CSi2Sn)(CH3)2(OS)	S(CF3)(OSi)(O)2	132.2050	0.000	1	132.2050	0.000	1	132.2050	0.000	1	132.2050	0.000	1	133.1340	14.646	7	133.1340	14.646	7
893	880	952	0:SP3_SP3_SP3	O	Si	S	4:4:	4:4:4:2:	4:2:2:1:	S-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:O-2:O-2:O-1:	O(SCOO)(SiC3)	Si(CH3)3(OS)	S(CF3)(OSi)2(O)	O(SCOO)(SiC3)	Si(CH3)3(OS)	S(CF3)(OSi)2(O)	133.5840	2.014	2	133.5840	4.056	2	133.5840	4.056	2	133.5840	4.056	2	133.1340	14.646	7	133.1340	14.646	7
893	880	956	0:SP3_SP2_SP3	O	Si	N	4:3:	4:4:4:2:	3:2:2:	Si-4:N-3:	C-4:C-4:C-4:O-2:	C-3:O-2:O-2:	O(SiC3)(NCO)	Si(CC3)(CH3)2(ON)	N(CCC)(OSi)2	O(SiC3)(NCO)	Si(CC3)(CH3)2(ON)	N(CCC)(OSi)2	115.1855	3.549	2	115.1855	12.595	2	114.1602	5.693	4	114.1602	5.693	4	114.1602	5.693	4	114.1602	5.693	4
893	880	956	0:SP3_SP2_SP3	O	Si	N	4:3:	4:4:4:2:	3:2:2:	Si-4:N-3:	C-4:C-4:C-4:O-2:	C-3:O-2:O-2:	O(SiC3)(NCO)	Si(CC3)(CH3)2(ON)	N(CCH)(OSi)2	O(SiC3)(NCO)	Si(CC3)(CH3)2(ON)	N(CCH)(OSi)2	113.1350	0.529	2	113.1350	0.280	2	114.1602	5.693	4	114.1602	5.693	4	114.1602	5.693	4	114.1602	5.693	4
893	880	956	0:SP3_SP3_SP3	O	Si	N	3:4:	4:4:4:2:	3:4:2:	N-3:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C-4:O-2:	O(NC[6a]C)(SiC3)	Si(CH3)3(ON)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	O(NC[6a]C)(SiC3)	Si(CH3)3(ON)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	101.9275	133.027	9	101.9275	133.027	9
893	880	956	0:SP3_SP3_SP3	O	Si	N	4:3:	2:1:1:1:	4:4:2:	Si-4:N-3:	O-2:Cl-1:Cl-1:Cl-1:	C-4:C-4:O-2:	O(SiCl3)(NCC)	Si(ON)(Cl)3	N(CH3)2(OSi)	O(SiCl3)(NCC)	Si(ON)(Cl)3	N(CH3)2(OSi)	103.0425	0.571	2	103.0425	0.326	2	103.0425	0.326	2	95.2496	182.351	3	101.9275	133.027	9	101.9275	133.027	9
893	880	956	0:SP3_SP3_SP3	O	Si	N	4:3:	2:1:1:1:	4:4:2:	Si-4:N-3:	O-2:Cl-1:H-1:H-1:	C-4:C-4:O-2:	O(SiClHH)(NCC)	Si(ON)(Cl)(H)2	N(CH3)2(OSi)	O(SiClHH)(NCC)	Si(ON)(Cl)(H)2	N(CH3)2(OSi)	79.6638	0.000	1	79.6638	0.000	1	79.6638	0.000	1	95.2496	182.351	3	101.9275	133.027	9	101.9275	133.027	9
893	880	956	0:SP3_SP3_SP3	O	Si	N	4:3:	2:2:2:2:	4:4:2:	Si-4:N-3:	O-2:O-2:O-2:O-2:	C-4:C-4:O-2:	O(SiO3)(NCC)	Si(ON)4	N(CH3)2(OSi)	O(SiO3)(NCC)	Si(ON)4	N(CH3)2(OSi)	109.0472	1.319	4	109.0472	1.740	4	109.0472	1.740	4	109.0472	1.740	4	101.9275	133.027	9	101.9275	133.027	9
893	880	956	0:SP3_SP3_SP3	O	Si	N	4:3:	3:2:1:1:	4:4:2:	Si-4:N-3:	C[6a]-3:O-2:F-1:F-1:	C-4:C-4:O-2:	O(SiC[6a]FF)(NCC)	Si(C[6a]C[6a]2)(ON)(F)2	N(CH3)2(OSi)	O(SiC[6a]FF)(NCC)	Si(C[6a]C[6a]2)(ON)(F)2	N(CH3)2(OSi)	85.0145	0.000	1	85.0145	0.000	1	85.0145	0.000	1	85.0145	0.000	1	101.9275	133.027	9	101.9275	133.027	9
893	880	979	0:SP2_SP2_SP3	O	Si	Si	4:3:	4:4:4:2:	4:4:2:	Si-4:Si-3:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:	O(SiC3)(SiCC)	Si(CH3)3(OSi)	Si(CH3)2(OSi)	O(SiC3)(SiCC)	Si(CH3)3(OSi)	Si(CH3)2(OSi)	144.7550	0.000	1	144.7550	0.000	1	144.7550	0.000	1	144.7550	0.000	1	144.7550	0.000	1	144.7550	0.000	1
893	880	984	0:SP3_SP-NON_SP3	O	Si	Ga	4:4:	2:2:2:2:	3:2:2:2:	Ga-4:Si-4:	O-2:O-2:O-2:O-2:	O[5]-3:O-2:O-2:O-2:	O(GaO[5]OO)(SiO3)	Si(OGa)(OC)3	Ga(O[5]C[5]2)(OSi)3	O(GaO[5]OO)(SiO3)	Si(OGa)(OC)3	Ga(O[5]C[5]2)(OSi)3	142.2700	6.632	12	142.2700	43.986	12	142.2700	43.986	12	142.2700	43.986	12	141.0035	61.174	13	141.0035	61.174	13
893	880	984	0:SP3_SP-NON_SP3	O	Si	Ga	4:4:	2:2:2:2:	3:4:4:2:	Ga-4:Si-4:	O-2:O-2:O-2:O-2:	O-3:C-4:C-4:O-2:	O(GaCCO)(SiO3)	Si(OAl)(OGa)(OC)2	Ga(OAlH)(CH3)2(OSi)	O(GaCCO)(SiO3)	Si(OAl)(OGa)(OC)2	Ga(OAlH)(CH3)2(OSi)	125.8050	0.000	1	125.8050	0.000	1	125.8050	0.000	1	125.8050	0.000	1	141.0035	61.174	13	141.0035	61.174	13
893	880	992	0:SP3_SP3_SP3	O	Si	P	4:4:	3:3:3:2:	4:4:2:2:	Si-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:O-2:N-2:	O(SiC[6a]3)(PCCN)	Si(C[6a]C[6a]2)3(OP)	P(CH3)2(OSi)(NP)	O(SiC[6a]3)(PCCN)	Si(C[6a]C[6a]2)3(OP)	P(CH3)2(OSi)(NP)	131.7870	0.000	1	131.7870	0.000	1	131.7870	0.000	1	131.7870	0.000	1	146.3226	102.258	9	146.3226	102.258	9
893	880	992	0:SP3_SP3_SP3	O	Si	P	4:4:	3:4:4:2:	4:4:4:2:	Si-4:P-4:	C[6a]-3:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC[6a]CC)(PC3)	Si(C[6a]C[6a]2)(CH3)2(OP)	P(CCHH)3(OSi)	O(SiC[6a]CC)(PC3)	Si(C[6a]C[6a]2)(CH3)2(OP)	P(CCHH)3(OSi)	158.1030	0.000	1	158.1030	0.000	1	158.1030	0.000	1	158.1030	0.000	1	146.3226	102.258	9	146.3226	102.258	9
893	880	992	0:SP3_SP3_SP3	O	Si	P	4:4:	4:4:4:2:	2:2:2:2:	Si-4:P-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiC3)(PO3)	Si(CH3)3(OP)	P(OAl)2(OSi)2	O(SiC3)(PO3)	Si(CH3)3(OP)	P(OAl)2(OSi)2	155.3550	8.590	2	155.3550	73.787	2	155.3550	73.787	2	155.3550	73.787	2	146.3226	102.258	9	146.3226	102.258	9
893	880	992	0:SP3_SP3_SP3	O	Si	P	4:4:	4:4:4:2:	3:3:3:2:	P-4:Si-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(PC[6a]3)(SiC3)	Si(CH3)3(OP)	P(C[6a]C[6a]2)3(OSi)	O(PC[6a]3)(SiC3)	Si(CH3)3(OP)	P(C[6a]C[6a]2)3(OSi)	143.1900	0.000	1	143.1900	0.000	1	143.1900	0.000	1	143.1900	0.000	1	146.3226	102.258	9	146.3226	102.258	9
893	880	992	0:SP3_SP3_SP3	O	Si	P	4:4:	4:4:4:2:	4:2:2:2:	P-4:Si-4:	C-4:C-4:C-4:O-2:	C[6]-4:O-2:O-2:O-2:	O(PC[6]OO)(SiC3)	Si(CH3)3(OP)	P(C[6]C[6]2H)(OAl)2(OSi)	O(PC[6]OO)(SiC3)	Si(CH3)3(OP)	P(C[6]C[6]2H)(OAl)2(OSi)	137.4510	0.000	1	137.4510	0.000	1	137.4510	0.000	1	137.4510	0.000	1	146.3226	102.258	9	146.3226	102.258	9
893	880	992	0:SP3_SP3_SP3	O	Si	P	4:4:	4:4:4:2:	4:4:2:2:	P-4:Si-4:	C-4:C-4:C-4:O-2:	C-4:C-4:O-2:N-2:	O(PCCN)(SiC3)	Si(CH3)3(OP)	P(CH3)2(OSi)(NP)	O(PCCN)(SiC3)	Si(CH3)3(OP)	P(CH3)2(OSi)(NP)	145.2207	8.333	3	145.2207	69.444	3	145.2207	69.444	3	145.2207	69.444	3	146.3226	102.258	9	146.3226	102.258	9
893	880	996	0:SP3_SP3_SP3	O	Si	Si[4]	4:4:	2:4:4:4:	2:2:2:2:	Si[4]-4:Si-4:	O-2:C-4:C-4:C-4:	O[4]-2:O[4]-2:N-2:O-2:	O(Si[4]O[4]2N)(SiC3)	Si(OSi[4])(CC3)3	Si[4](O[4]C[4])2(NC[5])(OSi)	O(Si[4]O[4]2N)(SiC3)	Si(OSi[4])(CC3)3	Si[4](O[4]C[4])2(NC[5])(OSi){1|O<1>}	162.5755	3.526	2	162.5755	12.435	2	162.5755	12.435	2	162.5755	12.435	2	163.6587	9.737	3	163.6587	9.737	3
893	880	996	0:SP3_SP3_SP3	O	Si	Si[4]	4:4:	2:4:4:4:	4:3:4:2:	Si[4]-4:Si-4:	O-2:C-4:C-4:C-4:	C[4]-4:C[4]-3:Si-4:O-2:	O(Si[4]C[4]2Si)(SiC3)	Si(OSi[4])(CH3)3	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi)	O(Si[4]C[4]2Si)(SiC3)	Si(OSi[4])(CH3)3	Si[4](C[4]C[3x6]C[4]Si)(C[4]C[4]C)(SiC3)(OSi){1|H<1>,3|C<4>}	165.8250	0.000	1	165.8250	0.000	1	165.8250	0.000	1	165.8250	0.000	1	163.6587	9.737	3	163.6587	9.737	3
893	881	941	0:SP2_SP2_SPD5	O	Si[3,3]	N	5:2:	5:2:2:2:2:	3:2:	Si[3,3]-5:N-2:	Si[3,3]-5:O[3]-2:O[3]-2:O-2:O-2:	C[5]-3:O-2:	O(Si[3,3]Si[3,3]O[3]2O)(NC[5])	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	N(C[5]N[5]2)(OSi[3,3])	O(Si[3,3]Si[3,3]O[3]2O)(NC[5])	Si[3,3](Si[3,3]O[3]2OO)(O[3]Si[3,3])2(OSi)(ON)	N(C[5]N[5]2)(OSi[3,3])	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1	125.3100	0.000	1
893	882	882	0:SP3_SP3_SP3	O	P[4]	P[4]	3:3:	3:3:2:	3:3:2:	P[4]-3:P[4]-3:	N[4]-3:N[4]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(P[4]N[4]2)2	P[4](N[4]P[4]C)2(OP[4])	P[4](N[4]P[4]C)2(OP[4])	O(P[4]N[4]2)2	P[4](N[4]P[4]C)2(OP[4]){1|H<1>,1|O<1>}	P[4](N[4]P[4]C)2(OP[4]){1|H<1>,1|O<1>}	130.9090	0.000	1	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6
893	882	882	0:SP3_SP3_SP3	O	P[4]	P[4]	3:3:	3:3:2:	3:3:2:	P[4]-3:P[4]-3:	N[4]-3:N[4]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(P[4]N[4]2)2	P[4](N[4]P[4]C)2(OP[4])	P[4](N[4]P[4]C)2(OP[4])	O(P[4]N[4]2)2	P[4](N[4]P[4]C)2(OP[4]){1|N<3>}	P[4](N[4]P[4]C)2(OP[4]){1|N<3>}	128.0060	0.000	1	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6
893	882	882	0:SP3_SP3_SP3	O	P[4]	P[4]	3:3:	3:3:2:	3:3:2:	P[4]-3:P[4]-3:	N[4]-3:N[4]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(P[4]N[4]2)2	P[4](N[4]P[4]C)2(OP[4])	P[4](N[4]P[4]C)2(OP[4])	O(P[4]N[4]2)2	P[4](N[4]P[4]C)2(OP[4]){1|O<2>}	P[4](N[4]P[4]C)2(OP[4]){1|O<2>}	124.9903	0.754	4	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6	126.4793	6.506	6
893	882	952	0:SP3_SP3_SP3	O	P[4]	S	3:4:	3:3:2:	2:4:1:1:	P[4]-3:S-4:	N[4]-3:N[4]-3:O-2:	O-2:C-4:O-1:O-1:	O(P[4]N[4]2)(SCOO)	P[4](N[4]C[6a]P[4])2(OS)	S(OP[4])(CF3)(O)2	O(P[4]N[4]2)(SCOO)	P[4](N[4]C[6a]P[4])2(OS){1|O<2>,4|C<3>}	S(OP[4])(CF3)(O)2	123.7780	1.171	2	123.7780	1.371	2	123.7780	1.371	2	123.7780	1.371	2	123.7780	1.371	2	123.7780	1.371	2
893	885	885	0:SP3_SP-NON_SP-NON	O	Ga[5]	Ga[5]	4:4:	3:3:2:2:	3:3:2:2:	Ga[5]-4:Ga[5]-4:	N[5]-3:N[5]-3:O-2:O-2:	N[5]-3:N[5]-3:O-2:O-2:	O(Ga[5]N[5]2O)2	Ga[5](N[5]C[5,5]C[6a])2(OGa[5])(OC[5])	Ga[5](N[5]C[5,5]C[6a])2(OGa[5])(OC[5])	O(Ga[5]N[5]2O)2	Ga[5](N[5]C[5,5]C[6a])2(OGa[5])(OC[5]){6|C<3>}	Ga[5](N[5]C[5,5]C[6a])2(OGa[5])(OC[5]){6|C<3>}	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1
893	885	930	0:SP2_SP-NON_SP2	O	Ga[5]	C	4:3:	3:2:2:2:	2:4:1:	Ga[5]-4:C-3:	N[5,6]-3:O[5]-2:O-2:O-2:	O-2:C-4:O-1:	O(Ga[5]N[5,6]O[5]O)(CCO)	Ga[5](N[5,6]C[5,6]C[6])(O[5]C[5])(OC)2	C(OGa[5])(CHHN)(O)	O(Ga[5]N[5,6]O[5]O)(CCO)	Ga[5](N[5,6]C[5,6]C[6])(O[5]C[5])(OC)2{1|C<4>,1|O<1>,2|C<3>}	C(OGa[5])(CHHN)(O)	117.5400	0.123	2	117.5400	0.015	2	117.5400	0.015	2	117.5400	0.015	2	118.0907	0.869	4	118.0907	0.869	4
893	885	930	0:SP2_SP-NON_SP2	O	Ga[5]	C	4:3:	4:2:2:2:	2:4:1:	Ga[5]-4:C-3:	N[5]-4:O[5]-2:O-2:O-2:	O-2:C-4:O-1:	O(Ga[5]N[5]O[5]O)(CCO)	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2	C(OGa[5])(CCHN)(O)	O(Ga[5]N[5]O[5]O)(CCO)	Ga[5](N[5]C[5]CH)(O[5]C[5])(OC)2{1|C<4>,1|H<1>,1|O<1>}	C(OGa[5])(CCHN)(O)	118.6415	1.175	2	118.6415	1.379	2	118.6415	1.379	2	118.6415	1.379	2	118.0907	0.869	4	118.0907	0.869	4
893	887	951	0:SP3_SP-NON_SP3	O	S	H	3:1:	3:3:2:	2:	S-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(SC[6a]2)(H)	S(C[6a]C[6a]2)2(OH)	H(OS)	O(SC[6a]2)(H)	S(C[6a]C[6a]2)2(OH)	H(OS)	109.4710	0.083	2	109.4710	0.007	2	109.4710	0.007	2	109.4713	0.003	3	109.8818	0.859	5	109.8818	0.859	5
893	887	951	0:SP3_SP-NON_SP3	O	S	H	3:1:	3:3:2:	2:	S-3:H-1:	C[6a]-3:N-3:O-2:	O-2:	O(SC[6a]N)(H)	S(C[6a]C[6a]2)(NCH)(OH)	H(OS)	O(SC[6a]N)(H)	S(C[6a]C[6a]2)(NCH)(OH)	H(OS)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	109.4713	0.003	3	109.8818	0.859	5	109.8818	0.859	5
893	887	951	0:SP3_SP-NON_SP3	O	S	H	3:1:	4:4:2:	2:	S-3:H-1:	C-4:C-4:O-2:	O-2:	O(SCC)(H)	S(CH3)2(OH)	H(OS)	O(SCC)(H)	S(CH3)2(OH)	H(OS)	110.4975	1.471	2	110.4975	2.165	2	110.4975	2.165	2	110.4975	2.165	2	109.8818	0.859	5	109.8818	0.859	5
893	887	992	0:SP3_SP3_SP3	O	S	P	4:3:	2:2:1:	3:4:4:2:	P-4:S-3:	O-2:O-2:O-1:	C[6a]-3:C[6]-4:B-4:O-2:	O(PC[6a]C[6]B)(SOO)	S(OC[6a])(OP)(O)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OS)	O(PC[6a]C[6]B)(SOO)	S(OC[6a])(OP)(O)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(OS)	126.4765	0.091	2	126.4765	0.008	2	126.4765	0.008	2	126.4765	0.008	2	126.4765	0.008	2	126.4765	0.008	2
893	890	890	0:SP3_SP3_SP3	O	As	As	4:4:	3:2:2:1:	3:2:2:1:	As-4:As-4:	C[6a]-3:O-2:O-2:O-1:	C[6a]-3:O-2:O-2:O-1:	O(AsC[6a]OO)2	As(C[6a]C[6a]2)(OAs)(OH)(O)	As(C[6a]C[6a]2)(OAs)(OH)(O)	O(AsC[6a]OO)2	As(C[6a]C[6a]2)(OAs)(OH)(O)	As(C[6a]C[6a]2)(OAs)(OH)(O)	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	2:1:1:1:	2:	As-4:H-1:	O-2:O-1:O-1:O-1:	O-2:	O(AsO3)(H)	As(OH)(O)3	H(OAs)	O(AsO3)(H)	As(OH)(O)3	H(OAs)	112.5029	3.269	7	112.5029	10.688	7	112.5029	10.688	7	112.5029	10.688	7	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	2:2:1:1:	2:	As-4:H-1:	O-2:O-2:O-1:O-1:	O-2:	O(AsO3)(H)	As(OH)2(O)2	H(OAs)	O(AsO3)(H)	As(OH)2(O)2	H(OAs)	111.0437	5.892	44	111.0437	34.711	44	111.0437	34.711	44	111.0437	34.711	44	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	2:2:2:1:	2:	As-4:H-1:	O-2:O-2:O-2:O-1:	O-2:	O(AsO3)(H)	As(OH)3(O)	H(OAs)	O(AsO3)(H)	As(OH)3(O)	H(OAs)	112.4616	2.729	8	112.4616	7.449	8	112.4616	7.449	8	112.4616	7.449	8	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:1:1:	2:	As-4:H-1:	C[6a]-3:O-2:O-1:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OH)(O)2	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OH)(O)2	H(OAs)	113.6361	4.657	7	113.6361	21.684	7	113.6361	21.684	7	113.6361	21.684	7	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:1:	2:	As-4:H-1:	C[6]-3:O-2:O-2:O-1:	O-2:	O(AsC[6]OO)(H)	As(C[6]C[6]2)(OH)2(O)	H(OAs)	O(AsC[6]OO)(H)	As(C[6]C[6]2)(OH)2(O)	H(OAs)	113.1410	6.139	2	113.1410	37.689	2	113.1410	37.689	2	111.7165	8.737	15	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:1:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OAs)(OH)(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OAs)(OH)(O)	H(OAs)	109.5030	0.000	1	109.5030	0.000	1	111.4973	6.662	13	111.7165	8.737	15	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:1:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OCd)(OH)(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OCd)(OH)(O)	H(OAs)	109.5010	0.000	1	109.5010	0.000	1	111.4973	6.662	13	111.7165	8.737	15	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:1:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OH)2(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OH)2(O)	H(OAs)	112.7409	2.612	8	112.7409	6.825	8	111.4973	6.662	13	111.7165	8.737	15	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:1:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn)(OH)(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn)(OH)(O)	H(OAs)	109.5090	0.052	2	109.5090	0.003	2	111.4973	6.662	13	111.7165	8.737	15	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:1:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OSi)(OH)(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OSi)(OH)(O)	H(OAs)	109.5160	0.000	1	109.5160	0.000	1	111.4973	6.662	13	111.7165	8.737	15	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:2:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OCd)2(OH)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OCd)2(OH)	H(OAs)	109.5140	0.000	1	109.5140	0.000	1	109.4679	0.002	7	109.4679	0.002	7	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:2:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn)(OH)2	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn)(OH)2	H(OAs)	109.4570	0.057	2	109.4570	0.003	2	109.4679	0.002	7	109.4679	0.002	7	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:2:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn)2(OH)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn)2(OH)	H(OAs)	109.4560	0.038	3	109.4560	0.001	3	109.4679	0.002	7	109.4679	0.002	7	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:2:2:2:	2:	As-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OZn)2(OH)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OZn)2(OH)	H(OAs)	109.4790	0.000	1	109.4790	0.000	1	109.4679	0.002	7	109.4679	0.002	7	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:3:2:1:	2:	As-4:H-1:	C[6a]-3:O-3:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OCd2)(OH)(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OCd2)(OH)(O)	H(OAs)	109.4550	0.000	1	109.4550	0.000	1	109.4500	0.000	2	109.4500	0.000	2	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:3:2:1:	2:	As-4:H-1:	C[6a]-3:O-3:O-2:O-1:	O-2:	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn2)(OH)(O)	H(OAs)	O(AsC[6a]OO)(H)	As(C[6a]C[6a]2)(OMn2)(OH)(O)	H(OAs)	109.4450	0.000	1	109.4450	0.000	1	109.4500	0.000	2	109.4500	0.000	2	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	3:3:3:2:	2:	As-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:	O(AsC[6a]3)(H)	As(C[6a]C[6a]2)3(OH)	H(OAs)	O(AsC[6a]3)(H)	As(C[6a]C[6a]2)3(OH)	H(OAs)	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	109.5120	0.000	1	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	4:4:2:1:	2:	As-4:H-1:	C-4:C-4:O-2:O-1:	O-2:	O(AsCCO)(H)	As(CH3)2(OH)(O)	H(OAs)	O(AsCCO)(H)	As(CH3)2(OH)(O)	H(OAs)	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	111.2375	22.481	94	111.2375	22.481	94
893	890	951	0:SP3_SP-NON_SP3	O	As	H	4:1:	4:4:4:2:	2:	As-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(AsC3)(H)	As(CH3)3(OH)	H(OAs)	O(AsC3)(H)	As(CH3)3(OH)	H(OAs)	103.9295	4.422	2	103.9295	19.550	2	103.9295	19.550	2	103.9295	19.550	2	111.2375	22.481	94	111.2375	22.481	94
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	2:1:1:1:	2:	N-4:H-1:	O-2:H-1:H-1:H-1:	O-2:	O(NH3)(H)	N(OH)(H)3	H(ON)	O(NH3)(H)	N(OH)(H)3	H(ON)	105.1721	3.964	68	105.1721	15.713	68	105.1721	15.713	68	105.1721	15.713	68	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:2:1:1:	2:	N-4:H-1:	B[6,6]-4:O-2:H-1:H-1:	O-2:	O(NB[6,6]HH)(H)	N(B[6,6]C[6,6]2C)(OH)(H)2	H(ON)	O(NB[6,6]HH)(H)	N(B[6,6]C[6,6]2C)(OH)(H)2	H(ON)	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	105.7238	10.487	5	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:2:1:1:	2:	N-4:H-1:	C-4:O-2:H-1:H-1:	O-2:	O(NCHH)(H)	N(CCCH)(OH)(H)2	H(ON)	O(NCHH)(H)	N(CCCH)(OH)(H)2	H(ON)	108.8200	0.000	1	108.8200	0.000	1	106.5795	10.040	2	105.7238	10.487	5	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:2:1:1:	2:	N-4:H-1:	C-4:O-2:H-1:H-1:	O-2:	O(NCHH)(H)	N(CH3)(OH)(H)2	H(ON)	O(NCHH)(H)	N(CH3)(OH)(H)2	H(ON)	104.3390	0.000	1	104.3390	0.000	1	106.5795	10.040	2	105.7238	10.487	5	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:2:1:1:	2:	N-4:H-1:	C[6]-4:O-2:H-1:H-1:	O-2:	O(NC[6]HH)(H)	N(C[6]C[6]2C)(OH)(H)2	H(ON)	O(NC[6]HH)(H)	N(C[6]C[6]2C)(OH)(H)2	H(ON)	102.9780	1.037	2	102.9780	1.075	2	102.9780	1.075	2	105.7238	10.487	5	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:4:2:1:	2:	N-4:H-1:	C-4:C-4:O-2:H-1:	O-2:	O(NCCH)(H)	N(CCHH)2(OH)(H)	H(ON)	O(NCCH)(H)	N(CCHH)2(OH)(H)	H(ON)	109.4790	0.021	2	109.4790	0.000	2	109.4790	0.000	2	109.4790	0.000	2	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:4:4:2:	2:	N-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(NC3)(H)	N(CCHH)(CH3)2(OH)	H(ON)	O(NC3)(H)	N(CCHH)(CH3)2(OH)	H(ON)	106.1165	4.738	2	106.1165	22.452	2	107.0450	11.041	5	107.0450	11.041	5	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:4:4:2:	2:	N-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(NC3)(H)	N(CCHH)3(OH)	H(ON)	O(NC3)(H)	N(CCHH)3(OH)	H(ON)	104.1200	0.000	1	104.1200	0.000	1	107.0450	11.041	5	107.0450	11.041	5	105.4313	15.059	80	105.4313	15.059	80
893	892	951	0:SP3_SP-NON_SP3	O	N	H	4:1:	4:4:4:2:	2:	N-4:H-1:	C-4:C-4:C-4:O-2:	O-2:	O(NC3)(H)	N(CH3)3(OH)	H(ON)	O(NC3)(H)	N(CH3)3(OH)	H(ON)	109.4360	0.021	2	109.4360	0.000	2	107.0450	11.041	5	107.0450	11.041	5	105.4313	15.059	80	105.4313	15.059	80
893	892	952	0:SP3_SP3_SP3	O	N	S	4:4:	2:1:1:1:	4:2:1:1:	S-4:N-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	O(SCOO)(NH3)	N(OS)(H)3	S(CH3)(ON)(O)2	O(SCOO)(NH3)	N(OS)(H)3	S(CH3)(ON)(O)2	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1
893	892	953	0:SP3_SP-NON_SP3	O	N	I	4:2:	4:4:4:2:	2:1:	N-4:I-2:	C-4:C-4:C-4:O-2:	O-2:Cl-1:	O(NC3)(ICl)	N(CH3)3(OI)	I(ON)(Cl)	O(NC3)(ICl)	N(CH3)3(OI)	I(ON)(Cl)	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1
893	892	984	0:SP3_SP-NON_SP3	O	N	Ga	4:4:	4:4:2:1:	2:4:4:2:	Ga-4:N-4:	C-4:C-4:O-2:H-1:	O-2:C-4:C-4:O-2:	O(GaCCO)(NCCH)	N(CCHH)(CH3)(OGa)(H)	Ga(ON[6])(CC3)2(ON)	O(GaCCO)(NCCH)	N(CCHH)(CH3)(OGa)(H)	Ga(ON[6])(CC3)2(ON)	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1
893	892	992	0:SP3_SP3_SP3	O	N	P	4:4:	4:4:4:2:	2:2:1:1:	N-4:P-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-1:O-1:	O(NC3)(PO3)	N(CH3)3(OP)	P(OC[6a])(ON)(O)2	O(NC3)(PO3)	N(CH3)3(OP)	P(OC[6a])(ON)(O)2	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1
893	893	899	0:SP3_SP-NON_SP3	O	O	C	2:1:	2:1:	2:	O-2:C-1:	O-2:C-1:	O-2:	O(OC)(C)	O(OC)(C)	C(OO)	O(OC)(C)	O(OC)(C)	C(OO)	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1
893	893	930	0:SP2_SP2_SP2	O	O	C	3:2:	2:1:	3:2:1:	C-3:O-2:	O-2:H-1:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(OH)	O(OC)(H)	C(C[6a]C[6a]2)(OO)(O)	O(CC[6a]O)(OH)	O(OC)(H)	C(C[6a]C[6a]2)(OO)(O)	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	111.4485	1.834	2	111.4485	1.834	2
893	893	930	0:SP2_SP2_SP2	O	O	C	3:2:	3:2:	4:2:1:	C-3:O-2:	C-3:O-2:	C-4:O-2:O-1:	O(CCO)(OC)	O(CCO)(OC)	C(CH3)(OO)(O)	O(CCO)(OC)	O(CCO)(OC)	C(CH3)(OO)(O)	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	111.4485	1.834	2	111.4485	1.834	2
893	893	930	0:SP2_SP2_SP3	O	O	C	3:2:	4:2:	4:2:1:	C-3:O-2:	C-4:O-2:	C-4:O-2:O-1:	O(CCO)(OC)	O(CCCO)(OC)	C(CCHH)(OO)(O)	O(CCO)(OC)	O(CCCO)(OC)	C(CCHH)(OO)(O)	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	108.7855	15.496	2	108.7855	15.496	2
893	893	930	0:SP2_SP2_SP3	O	O	C	3:2:	4:2:	4:3:2:	C-3:O-2:	C-4:O-2:	C[3,5]-4:N[5a]-3:O-2:	O(CC[3,5]N[5a])(OC)	O(CC3)(OC)	C(C[3,5]C[3,4,5]C[5]H[3])(N[5a]C[5a,6a]2)(OO)	O(CC[3,5]N[5a])(OC)	O(CC3)(OC)	C(C[3,5]C[3,4,5]C[5]H[3])(N[5a]C[5a,6a]2)(OO)	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	106.0020	0.000	1	108.7855	15.496	2	108.7855	15.496	2
893	893	945	0:SP3_SP3_SP3	O	O	P	3:2:	2:2:	2:2:2:	P-3:O-2:	H-2:O-2:	O-2:O-2:O-2:	O(POO)(OH)	O(HO)(OP)	P(OH)2(OO)	O(POO)(OH)	O(HO)(OP)	P(OH)2(OO)	91.9853	0.000	1	91.9853	0.000	1	91.9853	0.000	1	91.9853	0.000	1	91.9853	0.000	1	91.9853	0.000	1
893	893	951	0:SP2_SP-NON_SP2	O	O	H	2:1:	3:2:	2:	O-2:H-1:	C-3:O-2:	O-2:	O(OC)(H)	O(CC[6a]O)(OH)	H(OO)	O(OC)(H)	O(CC[6a]O)(OH)	H(OO)	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	2:1:	2:	O-2:H-1:	O-2:H-1:	O-2:	O(OH)(H)	O(OH)(H)	H(OO)	O(OH)(H)	O(OH)(H)	H(OO)	99.9484	2.965	78	99.9484	8.791	78	99.9484	8.791	78	99.9484	8.791	78	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CCCH)(OH)	H(OO)	O(OC)(H)	O(CCCH)(OH)	H(OO)	109.4720	0.000	1	109.4720	0.000	1	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CCCN)(OH)	H(OO)	O(OC)(H)	O(CCCN)(OH)	H(OO)	101.7930	0.000	1	101.7930	0.000	1	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CCCO)(OH)	H(OO)	O(OC)(H)	O(CCCO)(OH)	H(OO)	104.4143	4.401	3	104.4143	19.366	3	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CCHH)(OH)	H(OO)	O(OC)(H)	O(CCHH)(OH)	H(OO)	109.4983	0.015	3	109.4983	0.000	3	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CC[5]C[6]H)(OH)	H(OO)	O(OC)(H)	O(CC[5]C[6]H)(OH)	H(OO)	109.4610	0.000	1	109.4610	0.000	1	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CC[5]HH)(OH)	H(OO)	O(OC)(H)	O(CC[5]HH)(OH)	H(OO)	109.5040	0.000	1	109.5040	0.000	1	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CC[6]CC)(OH)	H(OO)	O(OC)(H)	O(CC[6]CC)(OH)	H(OO)	109.4510	0.000	1	109.4510	0.000	1	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CC[6a]CH)(OH)	H(OO)	O(OC)(H)	O(CC[6a]CH)(OH)	H(OO)	99.2076	0.000	1	99.2076	0.000	1	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C-4:O-2:	O-2:	O(OC)(H)	O(CC[6a]HO)(OH)	H(OO)	O(OC)(H)	O(CC[6a]HO)(OH)	H(OO)	98.2853	1.108	2	98.2853	1.227	2	105.5141	24.000	14	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5,6]-4:O-2:	O-2:	O(OC[5,6])(H)	O(C[5,6]C[5,6]C[5]C[6])(OH)	H(OO)	O(OC[5,6])(H)	O(C[5,6]C[5,6]C[5]C[6])(OH)	H(OO)	100.6380	0.000	1	100.6380	0.000	1	98.9880	5.445	2	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5,6]-4:O-2:	O-2:	O(OC[5,6])(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	H(OO)	O(OC[5,6])(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(OH)	H(OO)	97.3380	0.000	1	97.3380	0.000	1	98.9880	5.445	2	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[3,5]O[5]C)(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[3,5]O[5]C)(OH)	H(OO)	109.4650	0.000	1	109.4650	0.000	1	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[5,6]N[5]H)(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[5,6]N[5]H)(OH)	H(OO)	102.7730	0.000	1	102.7730	0.000	1	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[5,6a]C[5]C)(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[5,6a]C[5]C)(OH)	H(OO)	98.3007	6.924	2	98.3007	47.948	2	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[5,6a]C[6a]C[5])(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[5,6a]C[6a]C[5])(OH)	H(OO)	109.5090	0.000	1	109.5090	0.000	1	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[5]2C)(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[5]2C)(OH)	H(OO)	98.6403	0.000	1	98.6403	0.000	1	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[5]N[5]C)(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[5]N[5]C)(OH)	H(OO)	96.6610	0.000	1	96.6610	0.000	1	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[5]O[5]C)(OH)	H(OO)	99.3957	2.973	11	99.3957	8.839	11	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[6a]C[5]N[5])(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[6a]C[5]N[5])(OH)	H(OO)	102.9125	0.712	2	102.9125	0.507	2	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[5]-4:O-2:	O-2:	O(OC[5])(H)	O(C[5]C[6a]C[5]O[5])(OH)	H(OO)	O(OC[5])(H)	O(C[5]C[6a]C[5]O[5])(OH)	H(OO)	106.4350	4.265	2	106.4350	18.193	2	101.1681	20.728	22	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6,6]-4:O-2:	O-2:	O(OC[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(OH)	H(OO)	O(OC[6,6])(H)	O(C[6,6]C[3x6]C[6,6]H)(OH)	H(OO)	109.4710	0.000	1	109.4710	0.000	1	101.6937	24.205	5	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6,6]-4:O-2:	O-2:	O(OC[6,6])(H)	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	H(OO)	O(OC[6,6])(H)	O(C[6,6]C[5,3x6]C[3x6]C)(OH)	H(OO)	96.1313	0.000	1	96.1313	0.000	1	101.6937	24.205	5	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6,6]-4:O-2:	O-2:	O(OC[6,6])(H)	O(C[6,6]C[6,6]C[6]2)(OH)	H(OO)	O(OC[6,6])(H)	O(C[6,6]C[6,6]C[6]2)(OH)	H(OO)	99.4994	0.000	1	99.4994	0.000	1	101.6937	24.205	5	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6,6]-4:O-2:	O-2:	O(OC[6,6])(H)	O(C[6,6]C[6,6]C[6]N[6])(OH)	H(OO)	O(OC[6,6])(H)	O(C[6,6]C[6,6]C[6]N[6])(OH)	H(OO)	101.1460	0.000	1	101.1460	0.000	1	101.6937	24.205	5	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6,6]-4:O-2:	O-2:	O(OC[6,6])(H)	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	H(OO)	O(OC[6,6])(H)	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	H(OO)	102.2210	0.000	1	102.2210	0.000	1	101.6937	24.205	5	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[5a,6]C[6]H)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[5a,6]C[6]H)(OH)	H(OO)	109.4900	0.000	1	109.4900	0.000	1	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[5a,6]N[5,6]H)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[5a,6]N[5,6]H)(OH)	H(OO)	97.1594	0.000	1	97.1594	0.000	1	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[6,6a]C[6a]C[6])(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[6,6a]C[6a]C[6])(OH)	H(OO)	95.6111	0.000	1	95.6111	0.000	1	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[6]2C)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[6]2C)(OH)	H(OO)	103.3050	5.639	3	103.3050	31.794	3	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[6]2H)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[6]2H)(OH)	H(OO)	109.5350	0.000	1	109.5350	0.000	1	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[6]2O)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[6]2O)(OH)	H(OO)	99.3533	1.333	2	99.3533	1.778	2	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[6]N[6]H)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[6]N[6]H)(OH)	H(OO)	97.8673	0.546	2	97.8673	0.299	2	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:O-2:	O-2:	O(OC[6])(H)	O(C[6]C[6]O[6]C)(OH)	H(OO)	O(OC[6])(H)	O(C[6]C[6]O[6]C)(OH)	H(OO)	97.3089	0.000	1	97.3089	0.000	1	101.1217	28.074	12	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	Ge-4:O-2:	O-2:	O(OGe)(H)	O(GeC[6a]3)(OH)	H(OO)	O(OGe)(H)	O(GeC[6a]3)(OH)	H(OO)	93.5898	4.682	2	93.5898	21.917	2	93.5898	21.917	2	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	951	0:SP3_SP-NON_SP3	O	O	H	2:1:	4:2:	2:	O-2:H-1:	Si-4:O-2:	O-2:	O(OSi)(H)	O(SiC[6a]3)(OH)	H(OO)	O(OSi)(H)	O(SiC[6a]3)(OH)	H(OO)	95.0350	1.607	2	95.0350	2.583	2	95.0350	2.583	2	101.6958	28.136	59	100.7009	17.730	137	100.7009	17.730	137
893	893	952	0:SP3_SP3_SP3	O	O	S	4:2:	4:2:	2:1:1:1:	S-4:O-2:	S-4:O-2:	O-2:O-1:O-1:O-1:	O(SO3)(OS)	O(SO3)(OS)	S(OO)(O)3	O(SO3)(OS)	O(SO3)(OS)	S(OO)(O)3	106.0523	0.793	4	106.0523	0.629	4	106.0523	0.629	4	106.0523	0.629	4	106.4545	0.796	6	106.4545	0.796	6
893	893	952	0:SP3_SP3_SP3	O	O	S	4:2:	4:2:	4:2:1:1:	S-4:O-2:	S-4:O-2:	C-4:O-2:O-1:O-1:	O(SCOO)(OS)	O(SCOO)(OS)	S(CH3)(OO)(O)2	O(SCOO)(OS)	O(SCOO)(OS)	S(CH3)(OO)(O)2	107.2590	0.390	2	107.2590	0.152	2	107.2590	0.152	2	107.2590	0.152	2	106.4545	0.796	6	106.4545	0.796	6
893	893	983	0:SP3_SP1_SP3	O	O	C	2:2:	2:2:	2:1:	C-2:O-2:	C-2:O-2:	O-2:C-1:	O(CC)(OC)	O(CC)(OC)	C(OO)(C)	O(CC)(OC)	O(CC)(OC)	C(OO)(C)	96.5796	22.475	2	96.5796	505.137	2	96.5796	505.137	2	96.5796	505.137	2	96.5796	505.137	2	96.5796	505.137	2
893	894	951	0:SP3_SP-NON_SPD6	O	P[5,3x6]	H	6:1:	3:3:3:3:2:2:	2:	P[5,3x6]-6:H-1:	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-2:	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(H)	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)2	H(OP[5,3x6])	O(P[5,3x6]N[5,5a,6]2N[5a,6,6]2O)(H)	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)2{11|C<3>}	H(OP[5,3x6])	114.5450	0.742	2	114.5450	0.551	2	114.5450	0.551	2	114.5450	0.551	2	114.5450	0.551	2	114.5450	0.551	2
893	899	899	0:SP3_SP-NON_SP-NON	O	C	C	1:1:	2:	2:	C-1:C-1:	O-2:	O-2:	O(C)2	C(OC)	C(OC)	O(C)2	C(OC)	C(OC)	179.9995	0.001	2	179.9995	0.000	2	179.9995	0.000	2	179.9995	0.000	2	179.9995	0.000	2	179.9995	0.000	2
893	899	930	0:SP2_SP-NON_SP2	O	C	C	3:1:	2:	3:2:1:	C-3:C-1:	O-2:	C-3:O-2:O-1:	O(CCO)(C)	C(OC)	C(CCN)(OC)(O)	O(CCO)(C)	C(OC)	C(CCN)(OC)(O)	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	114.5036	8.463	5	113.6285	11.365	6	113.6285	11.365	6
893	899	930	0:SP2_SP-NON_SP2	O	C	C	3:1:	2:	3:2:1:	C-3:C-1:	O-2:	C[6,6]-3:O-2:O-1:	O(CC[6,6]O)(C)	C(OC)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	O(CC[6,6]O)(C)	C(OC)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	113.9567	3.048	4	113.9567	9.291	4	113.9567	9.291	4	114.5036	8.463	5	113.6285	11.365	6	113.6285	11.365	6
893	899	930	0:SP2_SP-NON_SP2	O	C	C	3:1:	2:	4:2:1:	C-3:C-1:	O-2:	C-4:O-2:O-1:	O(CCO)(C)	C(OC)	C(CN[6]CH)(OC)(O)	O(CCO)(C)	C(OC)	C(CN[6]CH)(OC)(O)	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	109.2530	0.000	1	113.6285	11.365	6	113.6285	11.365	6
893	899	951	0:SP3_SP-NON_SP-NON	O	C	H	1:1:	2:	2:	C-1:H-1:	O-2:	O-2:	O(C)(H)	C(OH)	H(OC)	O(C)(H)	C(OH)	H(OC)	109.6665	3.213	4	109.6665	10.323	4	109.6665	10.323	4	109.6665	10.323	4	109.6665	10.323	4	109.6665	10.323	4
893	902	902	0:SP2_SP2_SP2	O	C[3]	C[3]	3:3:	3:3:2:	3:3:2:	C[3]-3:C[3]-3:	C[3]-3:C[3]-3:O-2:	C[3]-3:C[3]-3:O-2:	O(C[3]C[3]2)2	C[3](C[3]C[3]N)2(OC[3])	C[3](C[3]C[3]N)2(OC[3])	O(C[3]C[3]2)2	C[3](C[3]C[3]N)2(OC[3])	C[3](C[3]C[3]N)2(OC[3])	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1
893	902	983	0:SP2_SP1_SP2	O	C[3]	C	3:2:	2:2:2:	2:1:	C[3]-3:C-2:	C[3]-2:O[3]-2:O-2:	O-2:C-1:	O(C[3]C[3]O[3])(CC)	C[3](C[3]O[3])(O[3]C[3])(OC)	C(OC[3])(C)	O(C[3]C[3]O[3])(CC)	C[3](C[3]O[3])(O[3]C[3])(OC)	C(OC[3])(C)	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1
893	905	930	0:SP2_SP2_SPD5	O	I[5]	C	5:3:	3:2:2:2:2:	2:4:1:	I[5]-5:C-3:	C[5,6a]-3:O[5]-2:O-2:O-2:O-2:	O-2:C-4:O-1:	O(I[5]C[5,6a]O[5]OO)(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)2(OS)	C(OI[5])(CH3)(O)	O(I[5]C[5,6a]O[5]OO)(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)2(OS){1|H<1>,1|O<1>,2|C<3>}	C(OI[5])(CH3)(O)	111.2340	0.474	2	111.2340	0.224	2	111.2340	0.224	2	111.2340	0.224	2	111.2340	0.224	2	111.2340	0.224	2
893	905	952	0:SP3_SP3_SPD5	O	I[5]	S	5:4:	3:2:2:2:2:	3:2:1:1:	I[5]-5:S-4:	C[5,6a]-3:O[5]-2:O-2:O-2:O-2:	C[6a]-3:O-2:O-1:O-1:	O(I[5]C[5,6a]O[5]OO)(SC[6a]OO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)2(OS)	S(C[6a]C[6a]2)(OI[5])(O)2	O(I[5]C[5,6a]O[5]OO)(SC[6a]OO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)2(OS){1|H<1>,1|O<1>,2|C<3>}	S(C[6a]C[6a]2)(OI[5])(O)2	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1
893	908	951	0:SP2_SP-NON_SP2	O	Se	H	3:1:	2:1:1:	2:	Se-3:H-1:	O-2:O-1:O-1:	O-2:	O(SeOO)(H)	Se(OH)(O)2	H(OSe)	O(SeOO)(H)	Se(OH)(O)2	H(OSe)	108.9348	3.803	6	108.9348	14.459	6	108.9348	14.459	6	108.9348	14.459	6	108.5111	10.696	11	108.5111	10.696	11
893	908	951	0:SP2_SP-NON_SP2	O	Se	H	3:1:	3:2:1:	2:	Se-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(SeC[6a]O)(H)	Se(C[6a]C[6a]2)(OH)(O)	H(OSe)	O(SeC[6a]O)(H)	Se(C[6a]C[6a]2)(OH)(O)	H(OSe)	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	108.5111	10.696	11	108.5111	10.696	11
893	908	951	0:SP2_SP-NON_SP2	O	Se	H	3:1:	3:2:2:	2:	Se-3:H-1:	C[6a]-3:O-2:O-2:	O-2:	O(SeC[6a]O)(H)	Se(C[6a]C[6a]2)(OH)2	H(OSe)	O(SeC[6a]O)(H)	Se(C[6a]C[6a]2)(OH)2	H(OSe)	106.6395	3.094	2	106.6395	9.570	2	106.6395	9.570	2	106.6395	9.570	2	108.5111	10.696	11	108.5111	10.696	11
893	908	951	0:SP2_SP-NON_SP2	O	Se	H	3:1:	3:3:2:	2:	Se-3:H-1:	C[6a]-3:C[6a]-3:O-2:	O-2:	O(SeC[6a]2)(H)	Se(C[6a]C[6a]2)2(OH)	H(OSe)	O(SeC[6a]2)(H)	Se(C[6a]C[6a]2)2(OH)	H(OSe)	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	108.5111	10.696	11	108.5111	10.696	11
893	908	951	0:SP2_SP-NON_SP2	O	Se	H	3:1:	4:2:1:	2:	Se-3:H-1:	C-4:O-2:O-1:	O-2:	O(SeCO)(H)	Se(CC[6]HH)(OH)(O)	H(OSe)	O(SeCO)(H)	Se(CC[6]HH)(OH)(O)	H(OSe)	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	108.5111	10.696	11	108.5111	10.696	11
893	909	951	0:SP3_SP-NON_SP3	O	S	H	2:1:	3:2:	2:	S-2:H-1:	S-3:O-2:	O-2:	O(SS)(H)	S(SRe2)(OH)	H(OS)	O(SS)(H)	S(SRe2)(OH)	H(OS)	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1
893	911	930	0:SP2_SP2_SPD6	O	Si	C	6:3:	2:2:2:2:2:2:	4:3:2:	Si-6:C-3:	N-2:N-2:N-2:N-2:O-2:O-2:	C-4:C-3:O-2:	O(SiN4O)(CCC)	Si(NC)4(OC)2	C(CH3)(CCH)(OSi)	O(SiN4O)(CCC)	Si(NC)4(OC)2	C(CH3)(CCH)(OSi)	141.3020	0.000	1	141.3020	0.000	1	141.3020	0.000	1	141.3020	0.000	1	141.3020	0.000	1	141.3020	0.000	1
893	911	992	0:SP3_SP3_SPD6	O	Si	P	4:6:	2:2:1:1:1:1:	3:3:3:2:	P-4:Si-6:	O-2:O-2:F-1:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(PC[6a]3)(SiF4O)	Si(OP)2(F)4	P(C[6a]C[6a]2)3(OSi)	O(PC[6a]3)(SiF4O)	Si(OP)2(F)4	P(C[6a]C[6a]2)3(OSi)	139.6597	2.417	3	139.6597	5.841	3	139.6597	5.841	3	139.6597	5.841	3	137.6045	20.789	4	137.6045	20.789	4
893	911	992	0:SP3_SP3_SPD6	O	Si	P	6:4:	2:2:1:1:1:1:	4:4:4:2:	Si-6:P-4:	O-2:O-2:F-1:F-1:F-1:F-1:	C-4:C-4:C-4:O-2:	O(SiF4O)(PC3)	Si(OP)2(F)4	P(CH3)3(OSi)	O(SiF4O)(PC3)	Si(OP)2(F)4	P(CH3)3(OSi)	131.4390	0.000	1	131.4390	0.000	1	131.4390	0.000	1	131.4390	0.000	1	137.6045	20.789	4	137.6045	20.789	4
893	917	984	0:SP3_SP-NON_SP3	O	P[4]	Ga	4:4:	4:4:2:1:	2:1:1:1:	P[4]-4:Ga-4:	C[4,5,5]-4:C[4]-4:O-2:H-1:	O-2:I-1:I-1:I-1:	O(P[4]C[4,5,5]C[4]H)(GaI3)	P[4](C[4,5,5]P[3,5,5]P[4,5,5]C)(C[4]P[4,5,5]CH)(OGa)(H)	Ga(OP[4])(I)3	O(P[4]C[4,5,5]C[4]H)(GaI3)	P[4](C[4,5,5]P[3,5,5]P[4,5,5]C)(C[4]P[4,5,5]CH)(OGa)(H){1|P<3>,2|C<4>}	Ga(OP[4])(I)3	134.8500	0.000	1	134.8500	0.000	1	134.8500	0.000	1	134.8500	0.000	1	134.8500	0.000	1	134.8500	0.000	1
893	925	956	0:SP3_SP2_SPD6	O	Ge	N	6:3:	2:2:2:2:2:2:	2:1:1:	Ge-6:N-3:	O-2:O-2:O-2:O-2:O-2:O-2:	O-2:O-1:O-1:	O(GeO5)(NOO)	Ge(ON)6	N(OGe)(O)2	O(GeO5)(NOO)	Ge(ON)6	N(OGe)(O)2	125.7710	1.985	6	125.7710	3.942	6	125.7710	3.942	6	125.7710	3.942	6	125.7710	3.942	6	125.7710	3.942	6
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O(B[6a]O[6a]2)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	O(B[6a]O[6a]2)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	130.0720	2.640	3	130.0720	6.968	3	130.8115	6.832	4	130.8115	6.832	4	141.7753	164.530	18	141.7753	164.530	18
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	2:2:2:	2:2:2:	B[6a]-3:B[6a]-3:	O[6a]-2:O[6a]-2:O-2:	O[6a]-2:O[6a]-2:O-2:	O(B[6a]O[6a]2)2	B[6a](O[6a]C[6a,6a])2(OB[6a])	B[6a](O[6a]C[6a,6a])2(OB[6a])	O(B[6a]O[6a]2)2	B[6a](O[6a]C[6a,6a])2(OB[6a]){3|C<3>}	B[6a](O[6a]C[6a,6a])2(OB[6a]){3|C<3>}	133.0300	0.000	1	133.0300	0.000	1	130.8115	6.832	4	130.8115	6.832	4	141.7753	164.530	18	141.7753	164.530	18
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|N<3>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|N<3>,2|H<1>,4|C<3>}	136.1460	0.000	1	150.3572	119.816	10	150.3572	119.816	10	144.9078	166.024	14	141.7753	164.530	18	141.7753	164.530	18
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|O<2>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|O<2>,2|H<1>,4|C<3>}	144.9090	1.362	5	150.3572	119.816	10	150.3572	119.816	10	144.9078	166.024	14	141.7753	164.530	18	141.7753	164.530	18
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|S<2>,2|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|S<2>,2|H<1>,4|C<3>}	160.7203	9.848	4	150.3572	119.816	10	150.3572	119.816	10	144.9078	166.024	14	141.7753	164.530	18	141.7753	164.530	18
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:	N[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-2:	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	136.5600	0.000	1	136.5600	0.000	1	131.2842	13.537	4	144.9078	166.024	14	141.7753	164.530	18	141.7753	164.530	18
893	927	927	0:SP2_SP2_SP2	O	B[6a]	B[6a]	3:3:	3:3:2:	3:3:2:	B[6a]-3:B[6a]-3:	N[6a]-3:C[6a]-3:O-2:	N[6a]-3:C[6a]-3:O-2:	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	129.5257	1.323	3	129.5257	1.751	3	131.2842	13.537	4	144.9078	166.024	14	141.7753	164.530	18	141.7753	164.530	18
893	927	930	0:SP2_SP2_SP2	O	B[6a]	C	3:3:	3:3:2:	4:2:1:	B[6a]-3:C-3:	C[6a]-3:N[6a]-3:O-2:	C-4:O-2:O-1:	O(B[6a]C[6a]N[6a])(CCO)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	C(CC[6a]HH)(OB[6a])(O)	O(B[6a]C[6a]N[6a])(CCO)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C(CC[6a]HH)(OB[6a])(O)	127.3780	0.000	1	127.3780	0.000	1	127.3780	0.000	1	127.3780	0.000	1	127.3780	0.000	1	127.3780	0.000	1
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	2:2:2:	2:	B[6a]-3:H-1:	O[6a]-2:O[6a]-2:O-2:	O-2:	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	H(OB[6a])	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	H(OB[6a])	109.4405	0.036	2	109.4405	0.001	2	110.1542	2.699	163	110.1542	2.699	163	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	2:2:2:	2:	B[6a]-3:H-1:	O[6a]-2:O[6a]-2:O-2:	O-2:	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	H(OB[6a])	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	H(OB[6a])	109.4771	0.033	9	109.4771	0.001	9	110.1542	2.699	163	110.1542	2.699	163	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	2:2:2:	2:	B[6a]-3:H-1:	O[6a]-2:O[6a]-2:O-2:	O-2:	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	H(OB[6a])	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){1|O<1>,3|O<2>}	H(OB[6a])	109.4280	0.000	1	110.1958	2.895	148	110.1542	2.699	163	110.1542	2.699	163	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	2:2:2:	2:	B[6a]-3:H-1:	O[6a]-2:O[6a]-2:O-2:	O-2:	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	H(OB[6a])	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	H(OB[6a])	110.2010	1.706	147	110.1958	2.895	148	110.1542	2.699	163	110.1542	2.699	163	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	2:2:2:	2:	B[6a]-3:H-1:	O[6a]-2:O[6a]-2:O-2:	O-2:	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6a])2(OH)	H(OB[6a])	O(B[6a]O[6a]2)(H)	B[6a](O[6a]B[6a])2(OH){4|O<2>}	H(OB[6a])	110.4982	1.388	4	110.4982	1.925	4	110.1542	2.699	163	110.1542	2.699	163	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	2:3:2:	2:	B[6a]-3:H-1:	O[6a]-2:C[6a]-3:O-2:	O-2:	O(B[6a]C[6a]O[6a])(H)	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH)	H(OB[6a])	O(B[6a]C[6a]O[6a])(H)	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	H(OB[6a])	109.4785	0.028	2	109.4785	0.001	2	109.4785	0.001	2	109.4785	0.001	2	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:2:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:O[6a]-2:O-2:	O-2:	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH)	H(OB[6a])	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH){1|H<1>,4|C<3>}	H(OB[6a])	112.4253	3.623	4	112.4253	13.125	4	112.7381	16.621	9	112.7381	16.621	9	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:2:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:O[6a]-2:O-2:	O-2:	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	H(OB[6a])	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|C<4>,1|H<1>,3|C<3>}	H(OB[6a])	109.5010	0.000	2	109.4840	0.001	3	112.7381	16.621	9	112.7381	16.621	9	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:2:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:O[6a]-2:O-2:	O-2:	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	H(OB[6a])	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|H<1>,4|C<3>}	H(OB[6a])	109.4500	0.000	1	109.4840	0.001	3	112.7381	16.621	9	112.7381	16.621	9	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:2:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:O[6a]-2:O-2:	O-2:	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	H(OB[6a])	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){1|H<1>,3|C<3>}	H(OB[6a])	117.6200	0.000	1	118.2450	0.781	2	112.7381	16.621	9	112.7381	16.621	9	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:2:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:O[6a]-2:O-2:	O-2:	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	H(OB[6a])	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){2|H<1>,3|C<3>}	H(OB[6a])	118.8700	0.000	1	118.2450	0.781	2	112.7381	16.621	9	112.7381	16.621	9	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	H(OB[6a])	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	H(OB[6a])	115.0650	0.000	1	115.8205	4.984	4	115.8205	4.984	4	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	H(OB[6a])	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|N<3>,2|H<1>,4|C<3>}	H(OB[6a])	116.0723	2.664	3	115.8205	4.984	4	115.8205	4.984	4	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH)	H(OB[6a])	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	H(OB[6a])	109.4720	0.000	1	109.4720	0.000	1	111.0270	7.282	3	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH)	H(OB[6a])	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	H(OB[6a])	109.4660	0.000	1	109.4660	0.000	1	111.0270	7.282	3	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	H(OB[6a])	O(B[6a]C[6a,6a]C[6a])(H)	B[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(OB[6a])	114.1430	0.000	1	114.1430	0.000	1	111.0270	7.282	3	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]N[5,6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH)	H(OB[6a])	O(B[6a]C[6a,6a]N[5,6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|O<1>,5|C<3>}	H(OB[6a])	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH)	H(OB[6a])	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH){1|O<2>,4|C<3>}	H(OB[6a])	109.4900	0.000	1	109.4900	0.000	1	111.9887	32.815	4	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	H(OB[6a])	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	H(OB[6a])	111.7715	9.138	2	111.7715	83.502	2	111.9887	32.815	4	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	O-2:	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH)	H(OB[6a])	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH){1|H<1>,3|C<3>}	H(OB[6a])	114.9220	0.000	1	114.9220	0.000	1	111.9887	32.815	4	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-2:	O-2:	O(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH)	H(OB[6a])	O(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	H(OB[6a])	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	951	0:SP2_SP-NON_SP2	O	B[6a]	H	3:1:	3:3:2:	2:	B[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-2:	O-2:	O(B[6a]N[6a]2)(H)	B[6a](N[6a]B[6a]C[6a])2(OH)	H(OB[6a])	O(B[6a]N[6a]2)(H)	B[6a](N[6a]B[6a]C[6a])2(OH){1|N<3>,6|C<3>}	H(OB[6a])	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	112.3316	15.945	14	110.4329	4.761	188	110.4329	4.761	188
893	927	956	0:SP2_SP2_SP2	O	B[6a]	N	3:3:	3:3:2:	2:1:1:	B[6a]-3:N-3:	N[6a]-3:N[6a]-3:O-2:	O-2:O-1:O-1:	O(B[6a]N[6a]2)(NOO)	B[6a](N[6a]B[6a]C)2(ON)	N(OB[6a])(O)2	O(B[6a]N[6a]2)(NOO)	B[6a](N[6a]B[6a]C)2(ON){3|N<3>}	N(OB[6a])(O)2	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1
893	927	992	0:SP2_SP2_SP3	O	B[6a]	P	3:4:	3:3:2:	3:3:3:2:	B[6a]-3:P-4:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(B[6a]C[6a]N[6a])(PC[6a]3)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP)	P(C[6a]C[6a]2)3(OB[6a])	O(B[6a]C[6a]N[6a])(PC[6a]3)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(OB[6a])	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1	131.0050	0.000	1
893	928	992	0:SP3_SP3_SPD6	O	Si[5,5]	P	6:4:	2:2:2:2:2:2:	2:4:4:4:	Si[5,5]-6:P-4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:O-2:	O-2:C-4:C-4:C-4:	O(Si[5,5]O[5]4O)(PC3)	Si[5,5](O[5]C[5,6a])4(OP)2	P(OSi[5,5])(CCHH)3	O(Si[5,5]O[5]4O)(PC3)	Si[5,5](O[5]C[5,6a])4(OP)2{4|C<3>}	P(OSi[5,5])(CCHH)3	134.9660	0.000	1	134.9660	0.000	1	134.9660	0.000	1	134.9660	0.000	1	134.9660	0.000	1	134.9660	0.000	1
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	2:1:1:	2:1:1:	C-3:C-3:	O-2:H-1:H-1:	O-2:H-1:H-1:	O(CHH)2	C(OC)(H)2	C(OC)(H)2	O(CHH)2	C(OC)(H)2	C(OC)(H)2	149.9035	42.563	2	149.9035	1811.599	2	149.9035	1811.599	2	149.9035	1811.599	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C[6,6]-3:O-2:O-1:	O-2:H-1:H-1:	O(CC[6,6]O)(CHH)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C(OC)(H)2	O(CC[6,6]O)(CHH)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C(OC)(H)2	116.8740	0.000	1	116.8740	0.000	1	116.8740	0.000	1	114.8370	3.130	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C[6]-3:O-2:O-1:	O-2:H-1:H-1:	O(CC[6]O)(CHH)	C(C[6]C[6,6]C[6])(OC)(O)	C(OC)(H)2	O(CC[6]O)(CHH)	C(C[6]C[6,6]C[6])(OC)(O)	C(OC)(H)2	113.9530	0.000	1	113.9530	0.000	1	113.8185	0.036	2	114.8370	3.130	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C[6]-3:O-2:O-1:	O-2:H-1:H-1:	O(CC[6]O)(CHH)	C(C[6]C[6]2)(OC)(O)	C(OC)(H)2	O(CC[6]O)(CHH)	C(C[6]C[6]2)(OC)(O)	C(OC)(H)2	113.6840	0.000	1	113.6840	0.000	1	113.8185	0.036	2	114.8370	3.130	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	2:2:1:	C-3:C-3:	N[5]-3:O-2:O-1:	O-2:O-2:O-1:	O(CN[5]O)(COO)	C(N[5]C[5,6a]C[5,6])(OC)(O)	C(OC)2(O)	O(CN[5]O)(COO)	C(N[5]C[5,6a]C[5,6])(OC)(O)	C(OC)2(O)	115.7800	0.000	1	115.7800	0.000	1	115.7800	0.000	1	115.7800	0.000	1	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:H-1:	O(CCH)2	C(CCC)(OC)(H)	C(CCC)(OC)(H)	O(CCH)2	C(CCC)(OC)(H)	C(CCC)(OC)(H)	118.4120	0.000	1	118.4120	0.000	1	118.5475	0.226	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:H-1:	O(CCH)2	C(CCC)(OC)(H)	C(CCH)(OC)(H)	O(CCH)2	C(CCC)(OC)(H)	C(CCH)(OC)(H)	119.2440	0.000	1	119.2440	0.000	1	118.5475	0.226	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:H-1:	O(CCH)2	C(CCH)(OC)(H)	C(CCH)(OC)(H)	O(CCH)2	C(CCH)(OC)(H)	C(CCH)(OC)(H)	118.2670	0.129	2	118.2670	0.017	2	118.5475	0.226	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:O-1:	O(CCH)(CCO)	C(CCH)(OC)(H)	C(CCH)(OC)(O)	O(CCH)(CCO)	C(CCH)(OC)(H)	C(CCH)(OC)(O)	117.7625	0.678	2	117.7625	0.460	2	117.7625	0.460	2	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:H-1:	N-3:O-2:O-1:	O(CCH)(CNO)	C(CCC)(OC)(H)	C(NCH)(OC)(O)	O(CCH)(CNO)	C(CCC)(OC)(H)	C(NCH)(OC)(O)	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	O(CCO)2	C(CCC)(OC)(O)	C(CCH)(OC)(O)	O(CCO)2	C(CCC)(OC)(O)	C(CCH)(OC)(O)	124.1590	0.000	1	124.1590	0.000	1	121.9655	9.623	2	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	O(CCO)2	C(CC[6]C)(OC)(O)	C(CC[6]C)(OC)(O)	O(CCO)2	C(CC[6]C)(OC)(O)	C(CC[6]C)(OC)(O)	119.7720	0.000	1	119.7720	0.000	1	121.9655	9.623	2	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[5]-3:O-2:H-1:	C-3:O-2:H-1:	O(CC[5]H)(CCH)	C(C[5]C[5]2)(OC)(H)	C(CCH)(OC)(H)	O(CC[5]H)(CCH)	C(C[5]C[5]2)(OC)(H)	C(CCH)(OC)(H)	121.8449	0.461	7	121.8449	0.213	7	121.8449	0.213	7	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[5a]-3:O-2:O-1:	C[5a]-3:O-2:O-1:	O(CC[5a]O)2	C(C[5a]C[5a]2)(OC)(O)	C(C[5a]C[5a]2)(OC)(O)	O(CC[5a]O)2	C(C[5a]C[5a]2)(OC)(O)	C(C[5a]C[5a]2)(OC)(O)	137.2360	0.167	2	137.2360	0.028	2	137.2360	0.028	2	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6]-3:O-2:H-1:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CC[6]H)	C(C[6]C[6,6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CC[6]H)	C(C[6]C[6,6]C[6])(OC)(H)	C(C[6a]C[6a]2)(OC)(O)	117.2765	0.538	2	117.2765	0.290	2	117.2765	0.290	2	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6]-3:O-2:O-1:	C[6]-3:O-2:O-1:	O(CC[6]O)2	C(C[6]C[6]2)(OC)(O)	C(C[6]C[6]2)(OC)(O)	O(CC[6]O)2	C(C[6]C[6]2)(OC)(O)	C(C[6]C[6]2)(OC)(O)	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:H-1:	N[6]-3:O-2:O-1:	O(CC[6a]H)(CN[6]O)	C(C[6a]C[6a]2)(OC)(H)	C(N[6]C[6]2)(OC)(O)	O(CC[6a]H)(CN[6]O)	C(C[6a]C[6a]2)(OC)(H)	C(N[6]C[6]2)(OC)(O)	115.2960	0.000	1	115.2960	0.000	1	115.2960	0.000	1	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:O-2:H-1:	O(CC[6a]O)(CCH)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C(CHH)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C(CHH)(OC)(H)	116.3970	0.000	1	116.3970	0.000	1	117.6125	1.585	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:O-2:H-1:	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CCC)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CCC)(OC)(H)	118.9260	0.000	1	118.9260	0.000	1	117.6125	1.585	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:O-2:H-1:	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CCH)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CCH)(OC)(H)	116.6840	0.000	1	116.6840	0.000	1	117.6125	1.585	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:O-2:H-1:	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CC[6a]I)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CC[6a]I)(OC)(H)	118.4430	0.000	1	118.4430	0.000	1	117.6125	1.585	4	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C[5]-3:O-2:O-1:	O(CC[6a]O)(CC[5]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C(C[5]C[5]2)(OC)(O)	O(CC[6a]O)(CC[5]O)	C(C[6a]C[6,6a]C[6a])(OC)(O)	C(C[5]C[5]2)(OC)(O)	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C[6]-3:O-2:H-1:	O(CC[6a]O)(CC[6]H)	C(C[6a]C[6a]2)(OC)(O)	C(C[6]C[6]2)(OC)(H)	O(CC[6a]O)(CC[6]H)	C(C[6a]C[6a]2)(OC)(O)	C(C[6]C[6]2)(OC)(H)	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C[6a]-3:O-2:O-1:	O(CC[6a]O)2	C(C[6a]C[6a,6a]2)(OC)(O)	C(C[6a]C[6a,6a]2)(OC)(O)	O(CC[6a]O)2	C(C[6a]C[6a,6a]2)(OC)(O)	C(C[6a]C[6a,6a]2)(OC)(O)	122.3820	0.000	1	122.3820	0.000	1	120.5142	14.841	13	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C[6a]-3:O-2:O-1:	O(CC[6a]O)2	C(C[6a]C[6a]2)(OC)(O)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)2	C(C[6a]C[6a]2)(OC)(O)	C(C[6a]C[6a]2)(OC)(O)	120.3585	3.981	12	120.3585	15.847	12	120.5142	14.841	13	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	N-3:O-2:H-1:	N-3:O-2:H-1:	O(CHN)2	C(NCC)(OC)(H)	C(NCC)(OC)(H)	O(CHN)2	C(NCC)(OC)(H)	C(NCC)(OC)(H)	147.3675	46.149	2	147.3675	2129.760	2	147.3675	2129.760	2	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	N-3:O-2:O-1:	C-3:O-2:H-1:	O(CCH)(CNO)	C(NC[6a]H)(OC)(O)	C(CCH)(OC)(H)	O(CCH)(CNO)	C(NC[6a]H)(OC)(O)	C(CCH)(OC)(H)	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	121.7738	102.828	44	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[5]-3:O-2:H-1:	C-3:C-3:O-2:	O(CC[5]H)(CCC)	C(C[5]C[5]2)(OC)(H)	C(CCH)(COO)(OC)	O(CC[5]H)(CCC)	C(C[5]C[5]2)(OC)(H)	C(CCH)(COO)(OC)	124.2730	0.000	1	124.2730	0.000	1	124.2730	0.000	1	117.4186	6.487	10	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:C-3:O-2:	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCC)(CCH)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCC)(CCH)(OC)	116.4400	1.198	2	116.4400	1.435	2	116.4577	0.819	7	117.4186	6.487	10	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:C-3:O-2:	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCC)(CHH)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCC)(CHH)(OC)	116.7130	0.000	1	116.7130	0.000	1	116.4577	0.819	7	117.4186	6.487	10	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:C-3:O-2:	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCH)(COO)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCH)(COO)(OC)	116.5430	0.662	2	116.5430	0.438	2	116.4577	0.819	7	117.4186	6.487	10	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-3:C-3:O-2:	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CC[6a]H)(CCH)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CC[6a]H)(CCH)(OC)	116.2625	1.699	2	116.2625	2.887	2	116.4577	0.819	7	117.4186	6.487	10	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	N-3:O-2:O-1:	C-3:C-3:O-2:	O(CCC)(CNO)	C(NCC)(OC)(O)	C(CCH)2(OC)	O(CCC)(CNO)	C(NCC)(OC)(O)	C(CCH)2(OC)	117.3545	0.108	2	117.3545	0.012	2	117.3545	0.012	2	117.4186	6.487	10	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	C-3:O-2:Cl-1:	C-4:O-2:O-1:	O(CClC)(CCO)	C(CCH)(OC)(Cl)	C(CH3)(OC)(O)	O(CClC)(CCO)	C(CCH)(OC)(Cl)	C(CH3)(OC)(O)	117.6595	0.992	2	117.6595	0.984	2	117.6595	0.984	2	116.8866	3.501	7	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	C-3:O-2:O-1:	C-4:O-2:H-1:	O(CCH)(CCO)	C(CC[5]C)(OC)(O)	C(CH3)(OC)(H)	O(CCH)(CCO)	C(CC[5]C)(OC)(O)	C(CH3)(OC)(H)	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	116.8866	3.501	7	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-4:O-2:H-1:	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CH3)(OC)(H)	O(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(OC)(O)	C(CH3)(OC)(H)	116.8440	0.000	1	116.8440	0.000	1	116.8440	0.000	1	116.8866	3.501	7	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-4:O-2:O-1:	O(CC[6a]O)(CCO)	C(C[6a]C[6a,6a]2)(OC)(O)	C(CH3)(OC)(O)	O(CC[6a]O)(CCO)	C(C[6a]C[6a,6a]2)(OC)(O)	C(CH3)(OC)(O)	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	116.8866	3.501	7	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	N[5]-3:O-2:O-1:	C-4:O-2:H-1:	O(CN[5]O)(CCH)	C(N[5]C[5,6]N[5])(OC)(O)	C(CH3)(OC)(H)	O(CN[5]O)(CCH)	C(N[5]C[5,6]N[5])(OC)(O)	C(CH3)(OC)(H)	114.6850	0.000	1	114.6850	0.000	1	114.8800	0.076	2	116.8866	3.501	7	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	N[5]-3:O-2:O-1:	C-4:O-2:H-1:	O(CN[5]O)(CCH)	C(N[5]N[5]S[5])(OC)(O)	C(CH3)(OC)(H)	O(CN[5]O)(CCH)	C(N[5]N[5]S[5])(OC)(O)	C(CH3)(OC)(H)	115.0750	0.000	1	115.0750	0.000	1	114.8800	0.076	2	116.8866	3.501	7	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:1:	4:3:2:	C-3:C-3:	C[6a]-3:O-2:O-1:	C-4:C-3:O-2:	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCHH)(CCH)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(OC)(O)	C(CCHH)(CCH)(OC)	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:2:	2:2:1:	C-3:C-3:	N-3:C-2:O-2:	O-2:O-2:O-1:	O(CCN)(COO)	C(NCS)(CC)(OC)	C(OC)2(O)	O(CCN)(COO)	C(NCS)(CC)(OC)	C(OC)2(O)	116.8205	0.357	2	116.8205	0.128	2	116.8205	0.128	2	116.8205	0.128	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NN)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NN)(OC)	C(C[6a]C[6a]2)(OC)(O)	115.6830	0.393	2	115.6830	0.155	2	116.0927	0.581	3	116.0927	0.581	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-2:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NO)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(NO)(OC)	C(C[6a]C[6a]2)(OC)(O)	116.9120	0.000	1	116.9120	0.000	1	116.0927	0.581	3	116.0927	0.581	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:2:2:	3:4:2:	C-3:C-3:	C[6a]-3:O-2:O-2:	C-3:C-4:O-2:	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(ORh)(OC)	C(CC[6a]Rh)(CC3)(OC)	O(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(ORh)(OC)	C(CC[6a]Rh)(CC3)(OC)	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	C-3:C-3:O-2:	O-2:O-2:O-1:	O(CCC)(COO)	C(CC[6a]O)(CCH)(OC)	C(OC)2(O)	O(CCC)(COO)	C(CC[6a]O)(CCH)(OC)	C(OC)2(O)	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	117.0860	9.348	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	C-3:N-3:O-2:	N-2:O-2:O-1:	O(CCN)(CNO)	C(CC[6a]H)(NCS)(OC)	C(NC[6])(OC)(O)	O(CCN)(CNO)	C(CC[6a]H)(NCS)(OC)	C(NC[6])(OC)(O)	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	117.0860	9.348	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	2:4:2:	C-3:C-3:	C-3:C-3:O-2:	N-2:C-4:O-2:	O(CCC)(CCN)	C(CC[6a]H)(COO)(OC)	C(NC[6a])(CF3)(OC)	O(CCC)(CCN)	C(CC[6a]H)(COO)(OC)	C(NC[6a])(CF3)(OC)	118.1255	4.362	2	118.1255	19.028	2	118.1255	19.028	2	118.1255	19.028	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C-3:C-3:O-2:	C-3:O-2:O-1:	O(CCC)(CCO)	C(CCH)(CCO)(OC)	C(CCC)(OC)(O)	O(CCC)(CCO)	C(CCH)(CCO)(OC)	C(CCC)(OC)(O)	116.2890	0.000	1	116.2890	0.000	1	116.2890	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CCC)	C(CC[6]H)(CC[6]O)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CCC)	C(CC[6]H)(CC[6]O)(OC)	C(C[6a]C[6a]2)(OC)(O)	115.6340	0.000	1	115.6340	0.000	1	115.7490	0.026	2	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CCC)	C(CC[6a]C)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CCC)	C(CC[6a]C)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(OC)(O)	115.8640	0.000	1	115.8640	0.000	1	115.7490	0.026	2	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C-3:N-3:O-2:	N-3:O-2:O-1:	O(CCN)(CNO)	C(CC[6a]H)(NCS)(OC)	C(NCH)(OC)(O)	O(CCN)(CNO)	C(CC[6a]H)(NCS)(OC)	C(NCH)(OC)(O)	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[5]-3:C[6]-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[5]C[6])(CC[6a]O)	C(C[5]C[5]2)(C[6]C[6]2)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[5]C[6])(CC[6a]O)	C(C[5]C[5]2)(C[6]C[6]2)(OC)	C(C[6a]C[6a]2)(OC)(O)	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[5a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	C(C[6a]C[6a]2)(OC)(O)	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CC[6]C)	C(C[6]C[6]N[6])(COO)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CC[6]C)	C(C[6]C[6]N[6])(COO)(OC)	C(C[6a]C[6a]2)(OC)(O)	115.8730	0.000	1	115.8730	0.000	1	115.8730	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:H-1:	O(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCS)(OC)	C(CHH)(OC)(H)	O(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCS)(OC)	C(CHH)(OC)(H)	119.8020	0.163	2	119.8020	0.026	2	119.8020	0.026	2	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCH)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCH)(OC)	C(C[6a]C[6a]2)(OC)(O)	116.4245	0.367	2	116.4245	0.135	2	116.9211	2.837	12	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	117.3834	2.041	7	117.3834	4.166	7	116.9211	2.837	12	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C(C[6a]C[6a]2)(OC)(O)	115.0770	0.000	1	115.0770	0.000	1	116.9211	2.837	12	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CHN)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CHN)(OC)	C(C[6a]C[6a]2)(OC)(O)	116.1710	0.000	1	116.1710	0.000	1	116.9211	2.837	12	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	117.2720	0.000	1	117.2720	0.000	1	116.9211	2.837	12	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	N-3:O-2:O-1:	O(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C(NC[6a]C)(OC)(O)	O(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C(NC[6a]C)(OC)(O)	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:C[6]-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)	C(C[6a]C[6a]2)(OC)(O)	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	N[5]-3:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	116.9291	2.396	24	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C-3:N-3:O-2:	C-3:N-3:O-2:	O(CCN)2	C(CCH)(NCS)(OC)	C(CCH)(NCS)(OC)	O(CCN)2	C(CCH)(NCS)(OC)	C(CCH)(NCS)(OC)	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	122.7750	32.807	6	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	O(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2)(OC)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	O(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2)(OC)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	112.2580	0.000	1	112.2580	0.000	1	112.2580	0.000	1	122.7750	32.807	6	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N-3:N-3:O-2:	N-3:N-3:O-2:	O(CNN)2	C(NPtH)(NCC)(OC)	C(NPtH)(NCC)(OC)	O(CNN)2	C(NPtH)(NCC)(OC)	C(NPtH)(NCC)(OC)	125.8127	2.751	3	125.8127	7.567	3	125.8127	7.567	3	122.7750	32.807	6	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[6]-3:N-3:O-2:	N[6]-3:N-3:O-2:	O(CN[6]N)2	C(N[6]C[6]2)(NPtH)(OC)	C(N[6]C[6]2)(NPtH)(OC)	O(CN[6]N)2	C(N[6]C[6]2)(NPtH)(OC)	C(N[6]C[6]2)(NPtH)(OC)	125.6710	0.000	1	125.6710	0.000	1	125.6710	0.000	1	122.7750	32.807	6	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C-3:C-3:O-2:	C-4:O-2:O-1:	O(CCC)(CCO)	C(CBrH)(CCH)(OC)	C(CH3)(OC)(O)	O(CCC)(CCO)	C(CBrH)(CCH)(OC)	C(CH3)(OC)(O)	116.1280	0.000	1	116.1280	0.000	1	117.3163	3.318	7	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C-3:C-3:O-2:	C-4:O-2:O-1:	O(CCC)(CCO)	C(CC[6a]C)(CCH)(OC)	C(CH3)(OC)(O)	O(CCC)(CCO)	C(CC[6a]C)(CCH)(OC)	C(CH3)(OC)(O)	118.3940	0.461	4	118.3940	0.213	4	117.3163	3.318	7	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C-3:C-3:O-2:	C-4:O-2:O-1:	O(CCC)(CCO)	C(CC[6a]H)(CCC)(OC)	C(CH3)(OC)(O)	O(CCC)(CCO)	C(CC[6a]H)(CCC)(OC)	C(CH3)(OC)(O)	117.7970	0.000	1	117.7970	0.000	1	117.3163	3.318	7	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C-3:C-3:O-2:	C-4:O-2:O-1:	O(CCC)(CCO)	C(CC[6a]H)(CHN)(OC)	C(CH3)(OC)(O)	O(CCC)(CCO)	C(CC[6a]H)(CHN)(OC)	C(CH3)(OC)(O)	113.7130	0.000	1	113.7130	0.000	1	117.3163	3.318	7	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[5,6]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(CC[5,6]C[6a])(CCO)	C(C[5,6]C[5,5,6]2)(C[6a]C[6a]2)(OC)	C(CH3)(OC)(O)	O(CC[5,6]C[6a])(CCO)	C(C[5,6]C[5,5,6]2)(C[6a]C[6a]2)(OC)	C(CH3)(OC)(O)	116.5490	0.146	2	116.5490	0.021	2	116.5490	0.021	2	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[5a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[5a]C)(CCO)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	C(CH3)(OC)(O)	O(CC[5a]C)(CCO)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	C(CH3)(OC)(O)	118.5590	0.000	1	118.5590	0.000	1	118.1188	1.330	6	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[5a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[5a]C)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]2)(OC)	C(CC[6a]2H)(OC)(O)	O(CC[5a]C)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]2)(OC)	C(CC[6a]2H)(OC)(O)	116.7000	0.000	1	116.7000	0.000	1	118.1188	1.330	6	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[5a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[5a]C)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(CC3)(OC)(O)	O(CC[5a]C)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(CC3)(OC)(O)	118.8423	0.852	3	118.8423	0.726	3	118.1188	1.330	6	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[5a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[5a]C)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(CC[6a]CH)(OC)(O)	O(CC[5a]C)(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(CC[6a]CH)(OC)(O)	116.9270	0.000	1	116.9270	0.000	1	118.1188	1.330	6	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCHO)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCHO)(OC)(O)	117.7650	0.000	1	117.7650	0.000	1	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(OC)	C(CH3)(OC)(O)	116.0870	2.500	2	116.0870	6.252	2	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCI)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCI)(OC)	C(CH3)(OC)(O)	116.3950	0.000	1	116.3950	0.000	1	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCN)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCN)(OC)	C(CH3)(OC)(O)	118.5070	0.000	1	118.5070	0.000	1	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCS)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCS)(OC)	C(CH3)(OC)(O)	116.0010	0.000	1	116.0010	0.000	1	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6]I)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6]I)(OC)	C(CH3)(OC)(O)	117.0290	0.000	1	117.0290	0.000	1	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CH3)(OC)(O)	118.9287	0.436	3	118.9287	0.190	3	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C(CH3)(OC)(O)	117.1908	0.454	5	117.1908	0.206	5	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CClC)(OC)	C(CH3)(OC)(O)	O(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CClC)(OC)	C(CH3)(OC)(O)	116.8410	0.290	2	116.8410	0.084	2	117.3114	1.448	17	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C[4]-3:O-2:	C-4:O-2:O-1:	O(CC[6a]C[4])(CCO)	C(C[6a]C[6a]2)(C[4]C[4]2)(OC)	C(CH3)(OC)(O)	O(CC[6a]C[4])(CCO)	C(C[6a]C[6a]2)(C[4]C[4]2)(OC)	C(CH3)(OC)(O)	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	N[5]-3:C-3:O-2:	C-4:O-2:O-1:	O(CN[5]C)(CCO)	C(N[5]C[5]2)(CCH)(OC)	C(CC[6a]HH)(OC)(O)	O(CN[5]C)(CCO)	C(N[5]C[5]2)(CCH)(OC)	C(CC[6a]HH)(OC)(O)	116.2990	0.000	1	116.2990	0.000	1	117.0125	1.018	2	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	N[5]-3:C-3:O-2:	C-4:O-2:O-1:	O(CN[5]C)(CCO)	C(N[5]C[5]2)(CC[6a]I)(OC)	C(CH3)(OC)(O)	O(CN[5]C)(CCO)	C(N[5]C[5]2)(CC[6a]I)(OC)	C(CH3)(OC)(O)	117.7260	0.000	1	117.7260	0.000	1	117.0125	1.018	2	117.4384	1.715	35	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	O(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCH)(OC)	C(CH3)(CHN)(OC)	O(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCH)(OC)	C(CH3)(CHN)(OC)	109.2760	0.000	1	109.2760	0.000	1	115.6750	81.894	2	121.0207	66.171	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	O(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCH)(OC)	C(CHHN)(CHH)(OC)	O(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCH)(OC)	C(CHHN)(CHH)(OC)	122.0740	0.000	1	122.0740	0.000	1	115.6750	81.894	2	121.0207	66.171	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:3:2:	4:3:2:	C-3:C-3:	C[6a]-3:C[5]-3:O-2:	C-4:C-3:O-2:	O(CC[6a]C[5])(CCC)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)	C(CH3)(CCC)(OC)	O(CC[6a]C[5])(CCC)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)	C(CH3)(CCC)(OC)	126.3665	1.520	2	126.3665	2.309	2	126.3665	2.309	2	121.0207	66.171	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[5]-3:C-4:O-2:	C-4:O-2:O-1:	O(CC[5]C)(CCO)	C(C[5]C[5,6]C[5])(CH3)(OC)	C(CH3)(OC)(O)	O(CC[5]C)(CCO)	C(C[5]C[5,6]C[5])(CH3)(OC)	C(CH3)(OC)(O)	119.6460	0.000	1	119.6460	0.000	1	118.0157	1.994	3	117.7375	1.639	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[5]-3:C-4:O-2:	C-4:O-2:O-1:	O(CC[5]C)(CCO)	C(C[5]C[5,6a]2)(CC3)(OC)	C(CC3)(OC)(O)	O(CC[5]C)(CCO)	C(C[5]C[5,6a]2)(CC3)(OC)	C(CC3)(OC)(O)	117.2080	0.000	1	117.2080	0.000	1	118.0157	1.994	3	117.7375	1.639	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[5]-3:C-4:O-2:	C-4:O-2:O-1:	O(CC[5]C)(CCO)	C(C[5]C[5,6a]2)(CH3)(OC)	C(CH3)(OC)(O)	O(CC[5]C)(CCO)	C(C[5]C[5,6a]2)(CH3)(OC)	C(CH3)(OC)(O)	117.1930	0.000	1	117.1930	0.000	1	118.0157	1.994	3	117.7375	1.639	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[6,6]-3:C-4:O-2:	C-4:O-2:O-1:	O(CC[6,6]C)(CCO)	C(C[6,6]C[3x6]O[6,6])(CH3)(OC)	C(CH3)(OC)(O)	O(CC[6,6]C)(CCO)	C(C[6,6]C[3x6]O[6,6])(CH3)(OC)	C(CH3)(OC)(O)	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	117.7375	1.639	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	3:4:2:	4:2:2:	C-3:C-3:	C-3:C-4:O-2:	C-4:N-2:O-2:	O(CCC)(CCN)	C(CC[6a]H)(CCHH)(OC)	C(CC[6a]HH)(NS)(OC)	O(CCC)(CCN)	C(CC[6a]H)(CCHH)(OC)	C(CC[6a]HH)(NS)(OC)	124.6320	0.000	1	124.6320	0.000	1	124.6320	0.000	1	124.6320	0.000	1	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C-4:O-2:O-1:	O-2:H-1:H-1:	O(CCO)(CHH)	C(CN[5a]HH)(OC)(O)	C(OC)(H)2	O(CCO)(CHH)	C(CN[5a]HH)(OC)(O)	C(OC)(H)2	118.9790	0.000	1	118.9790	0.000	1	118.1625	1.333	2	118.1035	4.834	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C-4:O-2:O-1:	O-2:H-1:H-1:	O(CCO)(CHH)	C(CRuCH)(OC)(O)	C(OC)(H)2	O(CCO)(CHH)	C(CRuCH)(OC)(O)	C(OC)(H)2	117.3460	0.000	1	117.3460	0.000	1	118.1625	1.333	2	118.1035	4.834	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[6,6]-4:O-2:O-1:	O-2:H-1:H-1:	O(CC[6,6]O)(CHH)	C(C[6,6]C[6,6]2H)(OC)(O)	C(OC)(H)2	O(CC[6,6]O)(CHH)	C(C[6,6]C[6,6]2H)(OC)(O)	C(OC)(H)2	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	118.1035	4.834	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[6]-4:O-2:O-1:	O-2:H-1:H-1:	O(CC[6]O)(CHH)	C(C[6]C[6]2C)(OC)(O)	C(OC)(H)2	O(CC[6]O)(CHH)	C(C[6]C[6]2C)(OC)(O)	C(OC)(H)2	115.4800	0.000	1	115.4800	0.000	1	115.4800	0.000	1	118.1035	4.834	4	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	2:2:1:	C-3:C-3:	C[5]-4:O-2:H-1:	N-2:O-2:O-1:	O(CC[5]H)(CNO)	C(C[5]C[5,6a]2H)(OC)(H)	C(NC[5])(OC)(O)	O(CC[5]H)(CNO)	C(C[5]C[5,6a]2H)(OC)(H)	C(NC[5])(OC)(O)	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	3:2:1:	C-3:C-3:	C-4:O-2:H-1:	C-3:O-2:H-1:	O(CCH)2	C(CHHO)(OC)(H)	C(CHO)(OC)(H)	O(CCH)2	C(CHHO)(OC)(H)	C(CHO)(OC)(H)	117.0580	0.000	2	117.0580	0.000	2	117.0580	0.000	2	116.5760	0.697	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	3:2:1:	C-3:C-3:	C-4:O-2:O-1:	C-3:O-2:H-1:	O(CCH)(CCO)	C(CCHH)(OC)(O)	C(CHH)(OC)(H)	O(CCH)(CCO)	C(CCHH)(OC)(O)	C(CHH)(OC)(H)	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	116.5760	0.697	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	3:2:2:	C-3:C-3:	C[6]-4:O-2:O-1:	C-3:O-2:O-2:	O(CC[6]O)(CCO)	C(C[6]C[4x6]C[6]H)(OC)(O)	C(CC[6,6]H)(OC)2	O(CC[6]O)(CCO)	C(C[6]C[4x6]C[6]H)(OC)(O)	C(CC[6,6]H)(OC)2	123.5300	0.000	1	123.5300	0.000	1	124.5527	0.850	3	124.5527	0.850	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	3:2:2:	C-3:C-3:	C[6]-4:O-2:O-1:	C-3:O-2:O-2:	O(CC[6]O)(CCO)	C(C[6]C[5,6,6]C[6]H)(OC)(O)	C(CC[6]H)(OC)2	O(CC[6]O)(CCO)	C(C[6]C[5,6,6]C[6]H)(OC)(O)	C(CC[6]H)(OC)2	125.0640	0.363	2	125.0640	0.132	2	124.5527	0.850	3	124.5527	0.850	3	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	3:3:2:	C-3:C-3:	C-4:O-2:O-1:	C-3:C-3:O-2:	O(CCC)(CCO)	C(CH3)(OC)(O)	C(CCH)2(OC)	O(CCC)(CCO)	C(CH3)(OC)(O)	C(CCH)2(OC)	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	117.0415	1.680	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	3:3:2:	C-3:C-3:	C[5]-4:O-2:O-1:	C-3:C-3:O-2:	O(CC[5]O)(CCC)	C(C[5]C[5]2Fe)(OC)(O)	C(CC[6a]H)(COO)(OC)	O(CC[5]O)(CCC)	C(C[5]C[5]2Fe)(OC)(O)	C(CC[6a]H)(COO)(OC)	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	117.0415	1.680	2	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C-4:O-2:H-1:	C-4:O-2:H-1:	O(CCH)2	C(CH3)(OC)(H)	C(CH3)(OC)(H)	O(CCH)2	C(CH3)(OC)(H)	C(CH3)(OC)(H)	117.2223	3.729	4	117.2223	13.909	4	116.2186	15.468	5	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C-4:O-2:H-1:	C-4:O-2:H-1:	O(CCH)2	C(CHHO)(OC)(H)	C(CHHO)(OC)(H)	O(CCH)2	C(CHHO)(OC)(H)	C(CHHO)(OC)(H)	112.2040	0.000	1	112.2040	0.000	1	116.2186	15.468	5	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C-4:O-2:O-1:	C-4:O-2:H-1:	O(CCH)(CCO)	C(CCFF)(OC)(O)	C(CH3)(OC)(H)	O(CCH)(CCO)	C(CCFF)(OC)(O)	C(CH3)(OC)(H)	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C-4:O-2:O-1:	C-4:O-2:O-1:	O(CCO)2	C(CH3)(OC)(O)	C(CH3)(OC)(O)	O(CCO)2	C(CH3)(OC)(O)	C(CH3)(OC)(O)	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[3,5]-4:O-2:O-1:	C-4:O-2:H-1:	O(CC[3,5]O)(CCH)	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	C(CH3)(OC)(H)	O(CC[3,5]O)(CCH)	C(C[3,5]C[3,5]C[3]C[5])(OC)(O)	C(CH3)(OC)(H)	116.0340	0.000	1	116.0340	0.000	1	116.0340	0.000	1	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[5]-4:O-2:O-1:	C-4:O-2:H-1:	O(CC[5]O)(CCH)	C(C[5]C[5,6]C[5]H)(OC)(O)	C(CH3)(OC)(H)	O(CC[5]O)(CCH)	C(C[5]C[5,6]C[5]H)(OC)(O)	C(CH3)(OC)(H)	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	O(CC[5]O)2	C(C[5]C[5]2Fe)(OC)(O)	C(C[5]C[5]2Fe)(OC)(O)	O(CC[5]O)2	C(C[5]C[5]2Fe)(OC)(O)	C(C[5]C[5]2Fe)(OC)(O)	118.2507	0.407	4	118.2507	0.166	4	118.4626	0.349	5	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[5]-4:O-2:O-1:	C[5]-4:O-2:O-1:	O(CC[5]O)2	C(C[5]C[5]2Ru)(OC)(O)	C(C[5]C[5]2Ru)(OC)(O)	O(CC[5]O)2	C(C[5]C[5]2Ru)(OC)(O)	C(C[5]C[5]2Ru)(OC)(O)	119.3100	0.000	1	119.3100	0.000	1	118.4626	0.349	5	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[6]-4:O-2:O-1:	C[6]-4:O-2:O-1:	O(CC[6]O)2	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(OC)(O)	O(CC[6]O)2	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(OC)(O)	118.6480	0.233	2	118.6480	0.054	2	118.6480	0.054	2	117.9194	6.501	16	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	O(CCC)(CCO)	C(CHHN)(CHH)(OC)	C(CCC)(OC)(O)	O(CCC)(CCO)	C(CHHN)(CHH)(OC)	C(CCC)(OC)(O)	126.3090	0.000	1	126.3090	0.000	1	126.3090	0.000	1	118.8294	13.377	8	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	C-4:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CCC)	C(CN[5a]HH)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CCC)	C(CN[5a]HH)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(OC)(O)	114.7550	0.000	1	114.7550	0.000	1	114.7550	0.000	1	118.8294	13.377	8	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	C-4:C-3:O-2:	N-3:O-2:O-1:	O(CCC)(CNO)	C(CCFF)(CCH)(OC)	C(NCC)(OC)(O)	O(CCC)(CNO)	C(CCFF)(CCH)(OC)	C(NCC)(OC)(O)	116.1820	0.000	1	116.1820	0.000	1	115.8770	0.186	2	118.8294	13.377	8	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	C-4:C-3:O-2:	N-3:O-2:O-1:	O(CCC)(CNO)	C(CC[6a]HO)(CFF)(OC)	C(NCC)(OC)(O)	O(CCC)(CNO)	C(CC[6a]HO)(CFF)(OC)	C(NCC)(OC)(O)	115.5720	0.000	1	115.5720	0.000	1	115.8770	0.186	2	118.8294	13.377	8	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	C[6]-4:C-3:O-2:	C[6a]-3:O-2:O-1:	O(CC[6a]O)(CC[6]C)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	O(CC[6a]O)(CC[6]C)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(OC)(O)	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	118.8294	13.377	8	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	3:2:1:	C-3:C-3:	Si-4:C-3:O-2:	N-3:O-2:O-1:	O(CSiC)(CNO)	C(SiC3)(CCH)(OC)	C(NCC)(OC)(O)	O(CSiC)(CNO)	C(SiC3)(CCH)(OC)	C(NCC)(OC)(O)	119.2393	0.825	3	119.2393	0.681	3	119.2393	0.681	3	118.8294	13.377	8	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C-4:C-3:O-2:	C-4:O-2:O-1:	O(CCC)(CCO)	C(CCHH)(CCH)(OC)	C(CH3)(OC)(O)	O(CCC)(CCO)	C(CCHH)(CCH)(OC)	C(CH3)(OC)(O)	117.6750	0.000	1	117.6750	0.000	1	117.5555	0.029	2	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C-4:C-3:O-2:	C-4:O-2:O-1:	O(CCC)(CCO)	C(CC[6a]HH)(CC[6a]C)(OC)	C(CC[6a]HH)(OC)(O)	O(CCC)(CCO)	C(CC[6a]HH)(CC[6a]C)(OC)	C(CC[6a]HH)(OC)(O)	117.4360	0.000	1	117.4360	0.000	1	117.5555	0.029	2	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[3]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[3]C)(CCO)	C(C[3]C[3,5,6]2H)(CCC)(OC)	C(CH3)(OC)(O)	O(CC[3]C)(CCO)	C(C[3]C[3,5,6]2H)(CCC)(OC)	C(CH3)(OC)(O)	119.4010	0.000	1	119.4010	0.000	1	118.9664	5.801	5	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[3]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[3]C)(CCO)	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	C(CH3)(OC)(O)	O(CC[3]C)(CCO)	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	C(CH3)(OC)(O)	116.4240	0.000	1	116.4240	0.000	1	118.9664	5.801	5	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[3]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[3]C)(CCO)	C(C[3]C[3]2H)(CCH)(OC)	C(CH3)(OC)(O)	O(CC[3]C)(CCO)	C(C[3]C[3]2H)(CCH)(OC)	C(CH3)(OC)(O)	122.7410	0.000	1	122.7410	0.000	1	118.9664	5.801	5	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[3]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[3]C)(CCO)	C(C[3]C[3]2H)(CCS)(OC)	C(CH3)(OC)(O)	O(CC[3]C)(CCO)	C(C[3]C[3]2H)(CCS)(OC)	C(CH3)(OC)(O)	118.8090	0.000	1	118.8090	0.000	1	118.9664	5.801	5	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[3]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[3]C)(CCO)	C(C[3]C[3]2H)(CC[6a]H)(OC)	C(CH3)(OC)(O)	O(CC[3]C)(CCO)	C(C[3]C[3]2H)(CC[6a]H)(OC)	C(CH3)(OC)(O)	117.4570	0.000	1	117.4570	0.000	1	118.9664	5.801	5	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[3]-4:C[6]-3:O-2:	C-4:O-2:O-1:	O(CC[3]C[6])(CCO)	C(C[3]C[3]2H)(C[6]C[6]2)(OC)	C(CH3)(OC)(O)	O(CC[3]C[6])(CCO)	C(C[3]C[3]2H)(C[6]C[6]2)(OC)	C(CH3)(OC)(O)	116.2100	0.000	1	116.2100	0.000	1	116.2100	0.000	1	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[5]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[5]C)(CCO)	C(C[5]C[5]2H)(CCH)(OC)	C(CH3)(OC)(O)	O(CC[5]C)(CCO)	C(C[5]C[5]2H)(CCH)(OC)	C(CH3)(OC)(O)	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:2:1:	C-3:C-3:	C[6]-4:C-3:O-2:	C-4:O-2:O-1:	O(CC[6]C)(CCO)	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C(CH3)(OC)(O)	O(CC[6]C)(CCO)	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C(CH3)(OC)(O)	119.3240	0.693	3	119.3240	0.480	3	119.3240	0.480	3	118.4990	3.159	12	119.1648	49.965	202	119.1648	49.965	202
893	930	930	0:SP2_SP2_SP2	O	C	C	3:3:	4:3:2:	4:3:2:	C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	O(CCC)2	C(CCHH)(CCC)(OC)	C(CCHH)(CCH)(OC)	O(CCC)2	C(CCHH)(CCC)(OC)	C(CCHH)(CCH)(OC)	127.3650	0.000	1	127.3650	0.000	1	127.3650	0.000	1	127.3650	0.000	1	119.1648	49.965	202	119.1648	49.965	202
893	930	931	0:SP2_SP2_SPD5	O	C	Si[5,5]	5:3:	3:2:1:	5:2:2:4:2:	Si[5,5]-5:C-3:	C[6a]-3:O-2:O-1:	Si[5,5]-5:O[5]-2:O[5]-2:C-4:O-2:	O(Si[5,5]Si[5,5]O[5]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OSi[5,5])(O)	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC)	O(Si[5,5]Si[5,5]O[5]2C)(CC[6a]O)	C(C[6a]C[6a]2)(OSi[5,5])(O)	Si[5,5](Si[5,5]O[5]2CO)(O[5]C[5])2(CH3)(OC){2|C<3>}	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	118.9157	15.174	3
893	930	931	0:SP2_SP2_SPD5	O	C	Si[5]	5:3:	3:2:2:	3:4:2:2:1:	Si[5]-5:C-3:	C[6a]-3:O-2:N-2:	C[6a]-3:N[5]-4:O[5]-2:O-2:H-1:	O(Si[5]C[6a]N[5]O[5]H)(CC[6a]N)	C(C[6a]C[6a]2)(OSi[5])(NN)	Si[5](C[6a]C[6a]2)(N[5]N[5]CC)(O[5]C[5])(OC)(H)	O(Si[5]C[6a]N[5]O[5]H)(CC[6a]N)	C(C[6a]C[6a]2)(OSi[5])(NN)	Si[5](C[6a]C[6a]2)(N[5]N[5]CC)(O[5]C[5])(OC)(H){2|H<1>,3|C<3>}	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	116.9005	5.982	2	118.9157	15.174	3
893	930	931	0:SP2_SP2_SPD5	O	C	Si[5]	5:3:	3:2:2:	4:2:2:1:1:	Si[5]-5:C-3:	C[6a]-3:O-2:N-2:	N[5]-4:O[5]-2:O-2:Br-1:Br-1:	O(Si[5]N[5]O[5]Br2)(CC[6a]N)	C(C[6a]C[6a]2)(OSi[5])(NN)	Si[5](N[5]N[5]CC)(O[5]C[5])(OC)(Br)2	O(Si[5]N[5]O[5]Br2)(CC[6a]N)	C(C[6a]C[6a]2)(OSi[5])(NN)	Si[5](N[5]N[5]CC)(O[5]C[5])(OC)(Br)2{1|C<3>}	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	116.9005	5.982	2	118.9157	15.174	3
893	930	940	0:SP2_SP-NON_SP2	O	C	P	3:2:	3:3:2:	2:2:	C-3:P-2:	N-3:N-3:O-2:	N-2:O-2:	O(CNN)(PN)	C(NC[6a]C)2(OP)	P(NC[6a])(OC)	O(CNN)(PN)	C(NC[6a]C)2(OP)	P(NC[6a])(OC)	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	2:2:1:	3:2:	N-2:C-3:	O-2:O-2:O-1:	C[6]-3:O-2:	O(NC[6])(COO)	C(OC[6a])(ON)(O)	N(C[6]C[6]2)(OC)	O(NC[6])(COO)	C(OC[6a])(ON)(O)	N(C[6]C[6]2)(OC)	111.2000	0.132	2	111.2000	0.017	2	111.2000	0.017	2	111.2000	0.017	2	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	3:2:1:	3:2:	N-2:C-3:	C-3:O-2:O-1:	C[6]-3:O-2:	O(NC[6])(CCO)	C(CCH)(ON)(O)	N(C[6]C[6]2)(OC)	O(NC[6])(CCO)	C(CCH)(ON)(O)	N(C[6]C[6]2)(OC)	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	113.7230	0.000	1	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	3:2:2:	3:2:	N-2:C-3:	C-3:N-2:O-2:	C[6]-3:O-2:	O(NC[6])(CCN)	C(CHH)(NPt)(ON)	N(C[6]C[6]2)(OC)	O(NC[6])(CCN)	C(CHH)(NPt)(ON)	N(C[6]C[6]2)(OC)	112.9760	0.000	1	112.9760	0.000	1	112.9760	0.000	1	112.2235	1.133	2	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	3:2:2:	3:2:	N-2:C-3:	N-3:C-2:O-2:	C[6]-3:O-2:	O(NC[6])(CCN)	C(NReH)(CH)(ON)	N(C[6]C[6]2)(OC)	O(NC[6])(CCN)	C(NReH)(CH)(ON)	N(C[6]C[6]2)(OC)	111.4710	0.000	1	111.4710	0.000	1	111.4710	0.000	1	112.2235	1.133	2	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	3:4:2:	3:2:	N-2:C-3:	N-3:C-4:O-2:	C[6]-3:O-2:	O(NC[6])(CCN)	C(NReH)(CH3)(ON)	N(C[6]C[6]2)(OC)	O(NC[6])(CCN)	C(NReH)(CH3)(ON)	N(C[6]C[6]2)(OC)	111.8990	0.000	1	111.8990	0.000	1	111.8990	0.000	1	111.8990	0.000	1	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	4:2:1:	3:2:	N-2:C-3:	C-4:O-2:O-1:	C[5a]-3:O-2:	O(NC[5a])(CCO)	C(CC3)(ON)(O)	N(C[5a]C[5a,6a]O[5a])(OC)	O(NC[5a])(CCO)	C(CC3)(ON)(O)	N(C[5a]C[5a,6a]O[5a])(OC)	113.5410	0.000	1	113.5410	0.000	1	113.5410	0.000	1	112.9035	0.813	2	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	4:2:1:	3:2:	N-2:C-3:	C-4:O-2:O-1:	C[6]-3:O-2:	O(NC[6])(CCO)	C(CH3)(ON)(O)	N(C[6]C[5,6]C[6])(OC)	O(NC[6])(CCO)	C(CH3)(ON)(O)	N(C[6]C[5,6]C[6])(OC)	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.9035	0.813	2	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	2:3:	4:3:2:	3:2:	N-2:C-3:	C-4:N-3:O-2:	C[5,6]-3:O-2:	O(NC[5,6])(CCN)	C(CCHH)(NPtH)(ON)	N(C[5,6]C[5,5,6]C[5,6])(OC)	O(NC[5,6])(CCN)	C(CCHH)(NPtH)(ON)	N(C[5,6]C[5,5,6]C[5,6])(OC)	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	112.8150	0.000	1	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	O-2:O-2:O-1:	C-3:O-2:	O(COO)(NC)	C(OC)(ON)(O)	N(CCC)(OC)	O(COO)(NC)	C(OC)(ON)(O)	N(CCC)(OC)	111.6200	0.000	1	111.6200	0.000	1	111.0364	0.337	7	111.0364	0.337	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	O-2:O-2:O-1:	C-3:O-2:	O(COO)(NC)	C(OC)(ON)(O)	N(CC[6a]C)(OC)	O(COO)(NC)	C(OC)(ON)(O)	N(CC[6a]C)(OC)	110.8630	0.184	2	110.8630	0.034	2	111.0364	0.337	7	111.0364	0.337	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	O-2:O-2:O-1:	C-3:O-2:	O(COO)(NC)	C(OC)(ON)(O)	N(CC[6a]H)(OC)	O(COO)(NC)	C(OC)(ON)(O)	N(CC[6a]H)(OC)	110.5685	0.333	2	110.5685	0.111	2	111.0364	0.337	7	111.0364	0.337	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	2:2:1:	3:2:	C-3:N-2:	O-2:O-2:O-1:	C-3:O-2:	O(COO)(NC)	C(OC[6a])(ON)(O)	N(CC[6a]H)(OC)	O(COO)(NC)	C(OC[6a])(ON)(O)	N(CC[6a]H)(OC)	111.3860	0.890	2	111.3860	0.791	2	111.0364	0.337	7	111.0364	0.337	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C-3:O-2:H-1:	C-3:O-2:	O(CCH)(NC)	C(CCH)(ON)(H)	N(CC[6a]C)(OC)	O(CCH)(NC)	C(CCH)(ON)(H)	N(CC[6a]C)(OC)	110.2840	0.939	2	110.2840	0.882	2	110.2840	0.882	2	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CCH)(ON)(O)	N(CC[6a]C)(OC)	O(CCO)(NC)	C(CCH)(ON)(O)	N(CC[6a]C)(OC)	112.1310	0.000	1	112.1310	0.000	1	112.9160	1.232	2	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C-3:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CCH)(ON)(O)	N(CC[6a]H)(OC)	O(CCO)(NC)	C(CCH)(ON)(O)	N(CC[6a]H)(OC)	113.7010	0.000	1	113.7010	0.000	1	112.9160	1.232	2	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C-3:O-2:	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CCC)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CCC)(OC)	112.6702	1.041	4	112.6702	1.084	4	112.3404	0.853	12	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C-3:O-2:	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[5a]C)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[5a]C)(OC)	112.3325	0.286	2	112.3325	0.082	2	112.3404	0.853	12	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C-3:O-2:	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[5a]H)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[5a]H)(OC)	112.9465	0.436	2	112.9465	0.190	2	112.3404	0.853	12	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C-3:O-2:	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[6a]H)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[6a]H)(OC)	110.6170	0.000	1	110.6170	0.000	1	112.3404	0.853	12	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C-3:O-2:	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[6a]N)(OC)	O(CC[6a]O)(NC)	C(C[6a]C[6a]2)(ON)(O)	N(CC[6a]N)(OC)	112.0763	0.869	3	112.0763	0.754	3	112.3404	0.853	12	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C[5]-3:O-2:	O(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(ON)(O)	N(C[5]C[3,5]C[5])(OC)	O(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(ON)(O)	N(C[5]C[3,5]C[5])(OC)	110.7010	0.000	1	110.7010	0.000	1	110.7010	0.000	1	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C[6,6]-3:O-2:	O(CC[6a]O)(NC[6,6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6,6]C[3x6]C[6,6])(OC)	O(CC[6a]O)(NC[6,6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6,6]C[3x6]C[6,6])(OC)	113.3830	0.000	1	113.3830	0.000	1	113.3830	0.000	1	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C[6]-3:O-2:	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[5,6]C[6])(OC)	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[5,6]C[6])(OC)	112.6066	1.394	7	112.6066	1.944	7	112.7742	1.641	13	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C[6]-3:O-2:	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[6,6]C[6])(OC)	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[6,6]C[6])(OC)	112.7450	0.000	1	112.7450	0.000	1	112.7742	1.641	13	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C[6]-3:O-2:	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[6,6a]C[6])(OC)	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[6,6a]C[6])(OC)	110.7680	0.000	1	110.7680	0.000	1	112.7742	1.641	13	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	C[6a]-3:O-2:O-1:	C[6]-3:O-2:	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[6]2)(OC)	O(CC[6a]O)(NC[6])	C(C[6a]C[6a]2)(ON)(O)	N(C[6]C[6]2)(OC)	113.5765	0.640	4	113.5765	0.410	4	112.7742	1.641	13	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:O-2:O-1:	C-3:O-2:	O(CNO)(NC)	C(NCH)(ON)(O)	N(CCS)(OC)	O(CNO)(NC)	C(NCH)(ON)(O)	N(CCS)(OC)	114.5210	0.100	2	114.5210	0.010	2	113.5152	1.265	5	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:O-2:O-1:	C-3:O-2:	O(CNO)(NC)	C(NCH)(ON)(O)	N(CC[6a]C)(OC)	O(CNO)(NC)	C(NCH)(ON)(O)	N(CC[6a]C)(OC)	113.6830	0.000	1	113.6830	0.000	1	113.5152	1.265	5	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:1:	3:2:	C-3:N-2:	N-3:O-2:O-1:	C-3:O-2:	O(CNO)(NC)	C(NC[6a]H)(ON)(O)	N(CC[6a]H)(OC)	O(CNO)(NC)	C(NC[6a]H)(ON)(O)	N(CC[6a]H)(OC)	112.4255	0.790	2	112.4255	0.624	2	113.5152	1.265	5	112.5614	1.621	36	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	C[6a]-3:N-2:O-2:	C-3:O-2:	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(ON)	N(CC[6a]2)(OC)	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)(NC[6a])(ON)	N(CC[6a]2)(OC)	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[6a]-3:N-3:O-2:	C-3:O-2:	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)(NPtH)(ON)	N(CC[6a]N)(OC)	O(CC[6a]N)(NC)	C(C[6a]C[6a]2)(NPtH)(ON)	N(CC[6a]N)(OC)	112.2515	1.388	2	112.2515	1.927	2	112.2515	1.927	2	111.6172	1.107	5	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	N-3:N-3:O-2:	C-3:O-2:	O(CNN)(NC)	C(NCC)(NHH)(ON)	N(CCN)(OC)	O(CNN)(NC)	C(NCC)(NHH)(ON)	N(CCN)(OC)	110.3300	0.000	1	110.3300	0.000	1	111.1943	0.579	3	111.6172	1.107	5	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	N-3:N-3:O-2:	C-3:O-2:	O(CNN)(NC)	C(NCC)(NHH)(ON)	N(CC[6a]N)(OC)	O(CNN)(NC)	C(NCC)(NHH)(ON)	N(CC[6a]N)(OC)	111.6265	0.196	2	111.6265	0.038	2	111.1943	0.579	3	111.6172	1.107	5	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	N-3:C-4:O-2:	C-3:O-2:	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	N(CCN)(OC)	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	N(CCN)(OC)	111.9200	0.000	1	111.9200	0.000	1	112.3447	0.222	7	112.3447	0.222	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	N-3:C-4:O-2:	C-3:O-2:	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	N(CCN)(OC)	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	N(CCN)(OC)	112.3600	0.343	3	112.3600	0.117	3	112.3447	0.222	7	112.3447	0.222	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	N-3:C-4:O-2:	C-3:O-2:	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	N(CC[6a]N)(OC)	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	N(CC[6a]N)(OC)	113.0160	0.000	1	113.0160	0.000	1	112.3447	0.222	7	112.3447	0.222	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	N-3:C-4:O-2:	C-3:O-2:	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	N(CC[6a]N)(OC)	O(CCN)(NC)	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	N(CC[6a]N)(OC)	112.6570	0.000	1	112.6570	0.000	1	112.3447	0.222	7	112.3447	0.222	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	3:4:2:	3:2:	C-3:N-2:	N-3:C-4:O-2:	C-3:O-2:	O(CCN)(NC)	C(NPtH)(CH3)(ON)	N(CCC)(OC)	O(CCN)(NC)	C(NPtH)(CH3)(ON)	N(CCC)(OC)	111.7400	0.000	1	111.7400	0.000	1	112.3447	0.222	7	112.3447	0.222	7	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CC3)(ON)(O)	N(CCC)(OC)	O(CCO)(NC)	C(CC3)(ON)(O)	N(CCC)(OC)	111.7765	0.480	2	111.7765	0.231	2	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CCHH)(ON)(O)	N(CC[6a]H)(OC)	O(CCO)(NC)	C(CCHH)(ON)(O)	N(CC[6a]H)(OC)	111.8590	1.994	2	111.8590	3.976	2	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CC[6a]HH)(ON)(O)	N(CC[6a]C[5])(OC)	O(CCO)(NC)	C(CC[6a]HH)(ON)(O)	N(CC[6a]C[5])(OC)	111.9330	0.000	1	111.9330	0.000	1	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CH3)(ON)(O)	N(CC[5a]H)(OC)	O(CCO)(NC)	C(CH3)(ON)(O)	N(CC[5a]H)(OC)	113.8880	0.000	1	113.8880	0.000	1	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CH3)(ON)(O)	N(CC[6a]C)(OC)	O(CCO)(NC)	C(CH3)(ON)(O)	N(CC[6a]C)(OC)	113.1135	0.054	2	113.1135	0.003	2	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CH3)(ON)(O)	N(CC[6a]H)(OC)	O(CCO)(NC)	C(CH3)(ON)(O)	N(CC[6a]H)(OC)	112.1820	0.000	1	112.1820	0.000	1	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C-4:O-2:O-1:	C-3:O-2:	O(CCO)(NC)	C(CHOO)(ON)(O)	N(CCC)(OC)	O(CCO)(NC)	C(CHOO)(ON)(O)	N(CCC)(OC)	112.7070	0.000	1	112.7070	0.000	1	112.4208	1.018	10	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C[3]-4:O-2:O-1:	C-3:O-2:	O(CC[3]O)(NC)	C(C[3]C[3]2H)(ON)(O)	N(CC[6a]H)(OC)	O(CC[3]O)(NC)	C(C[3]C[3]2H)(ON)(O)	N(CC[6a]H)(OC)	112.2830	0.143	2	112.2830	0.020	2	112.2830	0.020	2	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:1:	3:2:	C-3:N-2:	C[6]-4:O-2:O-1:	C-3:O-2:	O(CC[6]O)(NC)	C(C[6]C[6,6]C[6]C)(ON)(O)	N(CC[6a]C)(OC)	O(CC[6]O)(NC)	C(C[6]C[6,6]C[6]C)(ON)(O)	N(CC[6a]C)(OC)	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	112.4934	0.886	13	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:2:2:	3:2:	C-3:N-2:	C-4:N-2:O-2:	C-3:O-2:	O(CCN)(NC)	C(CH3)(NPt)(ON)	N(CCC)(OC)	O(CCN)(NC)	C(CH3)(NPt)(ON)	N(CCC)(OC)	112.5130	1.102	2	112.5130	1.214	2	112.5130	1.214	2	112.5130	1.214	2	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:N-3:O-2:	C-3:O-2:	O(CCN)(NC)	C(CCHH)(NPtH)(ON)	N(CCC)(OC)	O(CCN)(NC)	C(CCHH)(NPtH)(ON)	N(CCC)(OC)	112.5346	0.823	5	112.5346	0.678	5	112.0789	0.836	10	112.0789	0.836	10	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:N-3:O-2:	C-3:O-2:	O(CCN)(NC)	C(CCHH)(NPtH)(ON)	N(CC[6a]H)(OC)	O(CCN)(NC)	C(CCHH)(NPtH)(ON)	N(CC[6a]H)(OC)	112.3100	0.000	1	112.3100	0.000	1	112.0789	0.836	10	112.0789	0.836	10	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:N-3:O-2:	C-3:O-2:	O(CCN)(NC)	C(CCHH)(NPtH)(ON)	N(CC[6a]N)(OC)	O(CCN)(NC)	C(CCHH)(NPtH)(ON)	N(CC[6a]N)(OC)	111.7933	0.610	3	111.7933	0.372	3	112.0789	0.836	10	112.0789	0.836	10	112.3050	1.258	90	112.3050	1.258	90
893	930	941	0:SP2_SP2_SP2	O	C	N	3:2:	4:3:2:	3:2:	C-3:N-2:	C-4:N-3:O-2:	C-3:O-2:	O(CCN)(NC)	C(CClHH)(NPtH)(ON)	N(CCC)(OC)	O(CCN)(NC)	C(CClHH)(NPtH)(ON)	N(CCC)(OC)	110.4260	0.000	1	110.4260	0.000	1	112.0789	0.836	10	112.0789	0.836	10	112.3050	1.258	90	112.3050	1.258	90
893	930	945	0:SP2_SP2_SP3	O	C	P	3:3:	3:2:1:	3:3:2:	C-3:P-3:	P-3:O-2:O-1:	N-3:N-3:O-2:	O(COP)(PNN)	C(PCC)(OP)(O)	P(NCC)2(OC)	O(COP)(PNN)	C(PCC)(OP)(O)	P(NCC)2(OC)	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	118.9463	1.875	8	118.9463	1.875	8
893	930	945	0:SP2_SP2_SP3	O	C	P	3:3:	3:2:2:	3:4:2:	C-3:P-3:	C[6a]-3:P-2:O-2:	C[6a]-3:C-4:O-2:	O(CC[6a]P)(PC[6a]C)	C(C[6a]C[6a]2)(PC[6a])(OP)	P(C[6a]C[6a]2)(CCHH)(OC)	O(CC[6a]P)(PC[6a]C)	C(C[6a]C[6a]2)(PC[6a])(OP)	P(C[6a]C[6a]2)(CCHH)(OC)	120.9180	0.000	1	120.9180	0.000	1	120.9180	0.000	1	120.9180	0.000	1	118.9463	1.875	8	118.9463	1.875	8
893	930	945	0:SP2_SP2_SP3	O	C	P	3:3:	4:2:1:	2:2:2:	C-3:P-3:	C-4:O-2:O-1:	O-2:O-2:O-2:	O(CCO)(POO)	C(CCHH)(OP)(O)	P(OC[6a])2(OC)	O(CCO)(POO)	C(CCHH)(OP)(O)	P(OC[6a])2(OC)	120.5190	0.000	1	120.5190	0.000	1	118.9480	4.936	2	118.9480	4.936	2	118.9463	1.875	8	118.9463	1.875	8
893	930	945	0:SP2_SP2_SP3	O	C	P	3:3:	4:2:1:	2:2:2:	C-3:P-3:	C-4:O-2:O-1:	O-2:O-2:O-2:	O(CCO)(POO)	C(CC[6a]HH)(OP)(O)	P(OC[6a])2(OC)	O(CCO)(POO)	C(CC[6a]HH)(OP)(O)	P(OC[6a])2(OC)	117.3770	0.000	1	117.3770	0.000	1	118.9480	4.936	2	118.9480	4.936	2	118.9463	1.875	8	118.9463	1.875	8
893	930	945	0:SP2_SP2_SP3	O	C	P	3:3:	4:2:1:	3:2:2:	C-3:P-3:	C-4:O-2:O-1:	N-3:O-2:O-2:	O(CCO)(PNO)	C(CF3)(OP)(O)	P(NSi2)(OC)2	O(CCO)(PNO)	C(CF3)(OP)(O)	P(NSi2)(OC)2	119.2455	1.163	2	119.2455	1.353	2	119.2455	1.353	2	119.2455	1.353	2	118.9463	1.875	8	118.9463	1.875	8
893	930	945	0:SP2_SP2_SP3	O	C	P	3:3:	4:2:1:	5:2:2:	P-3:C-3:	C-4:O-2:O-1:	C[3x3,4,3x5,14x6]-5:O-2:O-2:	O(PC[3x3,4,3x5,14x6]O)(CCO)	C(CH3)(OP)(O)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(OC)2	O(PC[3x3,4,3x5,14x6]O)(CCO)	C(CH3)(OP)(O)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(OC)2	117.9785	0.699	2	117.9785	0.489	2	117.9785	0.489	2	117.9785	0.489	2	118.9463	1.875	8	118.9463	1.875	8
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:1:1:	2:	C-3:H-1:	O-2:H-1:H-1:	O-2:	O(CHH)(H)	C(OH)(H)2	H(OC)	O(CHH)(H)	C(OH)(H)2	H(OC)	110.6463	3.909	16	110.6463	15.284	16	110.6463	15.284	16	111.2744	26.330	80	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:1:1:	2:	C-3:H-1:	O-2:H-1:O-1:	O-2:	O(CHO)(H)	C(OH)(H)(O)	H(OC)	O(CHO)(H)	C(OH)(H)(O)	H(OC)	110.6745	3.220	33	110.6745	10.368	33	110.6745	10.368	33	111.2744	26.330	80	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:1:1:	2:	C-3:H-1:	O-2:O-1:O-1:	O-2:	O(COO)(H)	C(OH)(O)2	H(OC)	O(COO)(H)	C(OH)(O)2	H(OC)	112.2372	7.005	31	112.2372	49.069	31	112.2372	49.069	31	111.2744	26.330	80	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:1:	2:	C-3:H-1:	C-2:O-2:O-1:	O-2:	O(CCO)(H)	C(CC)(OH)(O)	H(OC)	O(CCO)(H)	C(CC)(OH)(O)	H(OC)	108.5589	2.464	30	108.5589	6.073	30	108.5589	6.073	30	108.8193	6.865	35	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:1:	2:	C-3:H-1:	O-2:O-2:O-1:	O-2:	O(COO)(H)	C(OCu)(OH)(O)	H(OC)	O(COO)(H)	C(OCu)(OH)(O)	H(OC)	108.3810	0.000	1	108.3810	0.000	1	110.3816	10.767	5	108.8193	6.865	35	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:1:	2:	C-3:H-1:	O-2:O-2:O-1:	O-2:	O(COO)(H)	C(ONi)(OH)(O)	H(OC)	O(COO)(H)	C(ONi)(OH)(O)	H(OC)	108.3410	0.000	1	108.3410	0.000	1	110.3816	10.767	5	108.8193	6.865	35	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:1:	2:	C-3:H-1:	O-2:O-2:O-1:	O-2:	O(COO)(H)	C(OPd)(OH)(O)	H(OC)	O(COO)(H)	C(OPd)(OH)(O)	H(OC)	111.7287	3.838	3	111.7287	14.729	3	110.3816	10.767	5	108.8193	6.865	35	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:2:	2:	C-3:H-1:	N-2:O-2:O-2:	O-2:	O(CNO)(H)	C(NC)(OC)(OH)	H(OC)	O(CNO)(H)	C(NC)(OC)(OH)	H(OC)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.6490	0.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:2:	2:	C-3:H-1:	O-2:O-2:O-2:	O-2:	O(COO)(H)	C(OCo)2(OH)	H(OC)	O(COO)(H)	C(OCo)2(OH)	H(OC)	109.4560	0.000	1	109.4560	0.000	1	109.6862	0.230	5	109.6490	0.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:2:	2:	C-3:H-1:	O-2:O-2:O-2:	O-2:	O(COO)(H)	C(OCu)2(OH)	H(OC)	O(COO)(H)	C(OCu)2(OH)	H(OC)	109.4420	0.000	1	109.4420	0.000	1	109.6862	0.230	5	109.6490	0.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:2:	2:	C-3:H-1:	O-2:O-2:O-2:	O-2:	O(COO)(H)	C(OH)3	H(OC)	O(COO)(H)	C(OH)3	H(OC)	109.4950	0.014	2	109.4950	0.000	2	109.6862	0.230	5	109.6490	0.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:2:2:	2:	C-3:H-1:	O-2:O-2:O-2:	O-2:	O(COO)(H)	C(ONi)2(OH)	H(OC)	O(COO)(H)	C(ONi)2(OH)	H(OC)	110.5430	0.000	1	110.5430	0.000	1	109.6862	0.230	5	109.6490	0.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:3:2:	2:	C-3:H-1:	N-2:C-3:O-2:	O-2:	O(CCN)(H)	C(NC[6a])(CCP)(OH)	H(OC)	O(CCN)(H)	C(NC[6a])(CCP)(OH)	H(OC)	107.0740	2.748	2	107.0740	7.550	2	107.0740	7.550	2	107.0740	7.550	2	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	2:4:2:	2:	C-3:H-1:	N-2:C-4:O-2:	O-2:	O(CCN)(H)	C(NC[6])(CCHH)(OH)	H(OC)	O(CCN)(H)	C(NC[6])(CCHH)(OH)	H(OC)	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.5110	0.000	1	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:H-1:	O-2:	O(CCH)(H)	C(CBrC)(OH)(H)	H(OC)	O(CCH)(H)	C(CBrC)(OH)(H)	H(OC)	110.0450	0.815	2	110.0450	0.664	2	108.1086	13.599	5	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:H-1:	O-2:	O(CCH)(H)	C(CCN)(OH)(H)	H(OC)	O(CCH)(H)	C(CCN)(OH)(H)	H(OC)	101.5750	0.000	1	101.5750	0.000	1	108.1086	13.599	5	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:H-1:	O-2:	O(CCH)(H)	C(CC[6a]C)(OH)(H)	H(OC)	O(CCH)(H)	C(CC[6a]C)(OH)(H)	H(OC)	109.4390	0.079	2	109.4390	0.006	2	108.1086	13.599	5	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CBrC)(OH)(O)	H(OC)	O(CCO)(H)	C(CBrC)(OH)(O)	H(OC)	111.4210	0.000	1	111.4210	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CCC)(OH)(O)	H(OC)	O(CCO)(H)	C(CCC)(OH)(O)	H(OC)	109.4515	2.698	94	109.4515	7.277	94	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CCH)(OH)(O)	H(OC)	110.5568	3.108	648	110.5568	9.663	648	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CCN)(OH)(O)	H(OC)	O(CCO)(H)	C(CCN)(OH)(O)	H(OC)	110.6595	3.449	17	110.6595	11.896	17	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CCO)(OH)(O)	H(OC)	O(CCO)(H)	C(CCO)(OH)(O)	H(OC)	108.6516	1.267	10	108.6516	1.606	10	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CCS)(OH)(O)	H(OC)	O(CCO)(H)	C(CCS)(OH)(O)	H(OC)	104.8140	0.000	1	104.8140	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[4]H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[4]H)(OH)(O)	H(OC)	107.5533	2.600	4	107.5533	6.759	4	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]C)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]C)(OH)(O)	H(OC)	110.8464	1.924	8	110.8464	3.703	8	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]H)(OH)(O)	H(OC)	108.8490	1.085	3	108.8490	1.178	3	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5a]H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5a]H)(OH)(O)	H(OC)	109.4627	0.023	3	109.4627	0.001	3	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]C)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]C)(OH)(O)	H(OC)	109.8126	1.319	14	109.8126	1.740	14	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]H)(OH)(O)	H(OC)	111.7475	7.415	6	111.7475	54.985	6	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]C)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]C)(OH)(O)	H(OC)	109.2433	1.417	24	109.2433	2.007	24	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]C[5])(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]C[5])(OH)(O)	H(OC)	111.5790	3.013	4	111.5790	9.076	4	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]C[6])(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]C[6])(OH)(O)	H(OC)	109.4675	0.012	2	109.4675	0.000	2	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]N)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]N)(OH)(O)	H(OC)	109.4920	0.000	1	109.4920	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]O)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]O)(OH)(O)	H(OC)	110.4893	1.013	3	110.4893	1.026	3	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CCl2)(OH)(O)	H(OC)	O(CCO)(H)	C(CCl2)(OH)(O)	H(OC)	109.5290	0.000	1	109.5290	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CClC)(OH)(O)	H(OC)	O(CCO)(H)	C(CClC)(OH)(O)	H(OC)	112.2770	0.000	1	112.2770	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CHH)(OH)(O)	H(OC)	O(CCO)(H)	C(CHH)(OH)(O)	H(OC)	111.7615	0.337	2	111.7615	0.114	2	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CNO)(OH)(O)	H(OC)	O(CCO)(H)	C(CNO)(OH)(O)	H(OC)	113.0160	5.036	2	113.0160	25.361	2	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[6a]C)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[6a]C)(OH)(O)	H(OC)	109.2690	0.000	1	109.2690	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(COO)(OH)(O)	H(OC)	O(CCO)(H)	C(COO)(OH)(O)	H(OC)	110.9288	2.696	263	110.9288	7.267	263	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(COsC)(OH)(O)	H(OC)	O(CCO)(H)	C(COsC)(OH)(O)	H(OC)	109.4860	0.000	1	109.4860	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:O-2:O-1:	O-2:	O(CCO)(H)	C(CPP)(OH)(O)	H(OC)	O(CCO)(H)	C(CPP)(OH)(O)	H(OC)	120.7650	0.000	1	120.7650	0.000	1	110.4988	8.925	1115	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[4]-3:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4,5,6]C[4])(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4,5,6]C[4])(OH)(O)	H(OC)	109.4190	0.008	2	109.4190	0.000	2	109.4190	0.000	2	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:H-1:	O-2:	O(CC[5]H)(H)	C(C[5]C[5,5]C[5])(OH)(H)	H(OC)	O(CC[5]H)(H)	C(C[5]C[5,5]C[5])(OH)(H)	H(OC)	106.8835	1.757	2	106.8835	3.088	2	106.8835	3.088	2	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[3,5]C[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[3,5]C[5])(OH)(O)	H(OC)	107.2570	0.000	1	107.2570	0.000	1	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[4,5]C[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[4,5]C[5])(OH)(O)	H(OC)	110.6360	0.000	1	110.6360	0.000	1	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,5]C[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,5]C[5])(OH)(O)	H(OC)	109.4680	0.000	1	109.4680	0.000	1	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6]2)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6]2)(OH)(O)	H(OC)	110.0130	0.928	3	110.0130	0.862	3	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6]C[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6]C[5])(OH)(O)	H(OC)	109.4660	0.000	1	109.4660	0.000	1	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2)(OH)(O)	H(OC)	110.2164	2.786	10	110.2164	7.764	10	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OH)(O)	H(OC)	110.8627	3.054	42	110.8627	9.327	42	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]S[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]S[5])(OH)(O)	H(OC)	111.3271	3.721	11	111.3271	13.844	11	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]N[5]2)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]N[5]2)(OH)(O)	H(OC)	109.4735	0.027	6	109.4735	0.001	6	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5]-3:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]Se[5]C[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]Se[5]C[5])(OH)(O)	H(OC)	109.4170	0.000	1	109.4170	0.000	1	110.5990	8.242	77	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]2)(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]2)(OH)(O)	H(OC)	112.5850	0.000	1	112.5850	0.000	1	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]C[5a])(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]C[5a])(OH)(O)	H(OC)	110.6395	2.822	17	110.6395	7.965	17	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a,6a]N[5a])(OH)(O)	H(OC)	110.0183	2.888	12	110.0183	8.340	12	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a]2)(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a]2)(OH)(O)	H(OC)	110.2328	2.118	16	110.2328	4.485	16	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(OH)(O)	H(OC)	109.9390	2.657	94	109.9390	7.062	94	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(OH)(O)	H(OC)	111.1001	2.533	8	111.1001	6.415	8	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(OH)(O)	H(OC)	109.4546	2.891	32	109.4546	8.359	32	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[5a]-3:O-2:O-1:	O-2:	O(CC[5a]O)(H)	C(C[5a]N[5a]2)(OH)(O)	H(OC)	O(CC[5a]O)(H)	C(C[5a]N[5a]2)(OH)(O)	H(OC)	109.4590	0.000	1	109.4590	0.000	1	110.0137	7.120	181	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6,6]-3:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6])(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6])(OH)(O)	H(OC)	110.8240	0.000	1	110.8240	0.000	1	110.8240	0.000	1	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:H-1:	O-2:	O(CC[6]H)(H)	C(C[6]C[6,6]C[6])(OH)(H)	H(OC)	O(CC[6]H)(H)	C(C[6]C[6,6]C[6])(OH)(H)	H(OC)	109.4825	0.046	2	109.4825	0.002	2	109.4853	0.001	3	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:H-1:	O-2:	O(CC[6]H)(H)	C(C[6]C[6]2)(OH)(H)	H(OC)	O(CC[6]H)(H)	C(C[6]C[6]2)(OH)(H)	H(OC)	109.4910	0.000	1	109.4910	0.000	1	109.4853	0.001	3	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[5,6]C[6])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[5,6]C[6])(OH)(O)	H(OC)	110.9535	2.108	2	110.9535	4.443	2	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6]C[6])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6]C[6])(OH)(O)	H(OC)	109.1887	0.452	3	109.1887	0.204	3	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6a]2)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6a]2)(OH)(O)	H(OC)	109.4880	0.000	1	109.4880	0.000	1	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	H(OC)	110.2690	3.026	8	110.2690	9.154	8	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2)(OH)(O)	H(OC)	110.1445	4.372	267	110.1445	19.115	267	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]N[6])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]N[6])(OH)(O)	H(OC)	109.7329	3.534	50	109.7329	12.488	50	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]N[4,6]C[6])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]N[4,6]C[6])(OH)(O)	H(OC)	109.4950	0.048	2	109.4950	0.002	2	110.0761	17.403	333	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:H-1:	O-2:	O(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)	H(OC)	O(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(H)	H(OC)	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[4,6a]C[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[4,6a]C[6a])(OH)(O)	H(OC)	102.9000	0.000	1	102.9000	0.000	1	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[5,6a]C[6a])(OH)(O)	H(OC)	110.4030	2.412	9	110.4030	5.817	9	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	H(OC)	110.6246	3.221	9	110.6246	10.374	9	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(OH)(O)	H(OC)	110.5623	1.737	4	110.5623	3.018	4	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(OH)(O)	H(OC)	110.2731	2.253	24	110.2731	5.078	24	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(OH)(O)	H(OC)	109.4949	3.578	43	109.4949	12.803	43	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]N[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a,6a]N[6a])(OH)(O)	H(OC)	111.0083	0.675	3	111.0083	0.455	3	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OH)(O)	H(OC)	110.3063	2.981	4244	110.3063	8.885	4244	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(OH)(O)	H(OC)	110.7859	3.217	170	110.7859	10.349	170	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:O-2:O-1:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(OH)(O)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]O[6a])(OH)(O)	H(OC)	110.2722	3.681	11	110.2722	13.546	11	110.3162	8.966	4518	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:O-2:H-1:	O-2:	O(CHN)(H)	C(NCC)(OH)(H)	H(OC)	O(CHN)(H)	C(NCC)(OH)(H)	H(OC)	113.2325	5.223	2	113.2325	27.284	2	113.2325	27.284	2	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:O-2:O-1:	O-2:	O(CNO)(H)	C(NCC)(OH)(O)	H(OC)	O(CNO)(H)	C(NCC)(OH)(O)	H(OC)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	110.3279	9.353	6241	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C-3:N-2:O-2:	O-2:	O(CCN)(H)	C(CCC)(NC)(OH)	H(OC)	O(CCN)(H)	C(CCC)(NC)(OH)	H(OC)	104.9760	1.267	2	104.9760	1.606	2	108.6713	41.769	3	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C-3:N-2:O-2:	O-2:	O(CCN)(H)	C(CCC)(NH)(OH)	H(OC)	O(CCN)(H)	C(CCC)(NH)(OH)	H(OC)	116.0620	0.000	1	116.0620	0.000	1	108.6713	41.769	3	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C-3:O-2:O-2:	O-2:	O(CCO)(H)	C(COO)(OBa)(OH)	H(OC)	O(CCO)(H)	C(COO)(OBa)(OH)	H(OC)	112.7980	0.000	1	112.7980	0.000	1	112.7980	0.000	1	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2)(OC)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2)(OC)(OH)	H(OC)	111.0720	0.000	1	111.0720	0.000	1	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OCa)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OCa)(OH)	H(OC)	114.2640	0.000	1	114.2640	0.000	1	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OCd)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OCd)(OH)	H(OC)	108.3930	0.000	1	108.3930	0.000	1	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OCo)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OCo)(OH)	H(OC)	111.5935	2.932	2	111.5935	8.599	2	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OFe)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OFe)(OH)	H(OC)	109.4860	0.000	1	109.4860	0.000	1	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OLi)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OLi)(OH)	H(OC)	112.1885	3.835	2	112.1885	14.704	2	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OMn)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OMn)(OH)	H(OC)	109.4860	0.000	1	109.4860	0.000	1	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(ONi)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(ONi)(OH)	H(OC)	109.4390	0.082	2	109.4390	0.007	2	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5]-3:O-2:O-2:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OSr)(OH)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5])(OSr)(OH)	H(OC)	114.4387	9.285	3	114.4387	86.215	3	111.6042	19.734	14	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5a]-3:N-2:O-2:	O-2:	O(CC[5a]N)(H)	C(C[5a]C[5a]O[5a])(NN)(OH)	H(OC)	O(CC[5a]N)(H)	C(C[5a]C[5a]O[5a])(NN)(OH)	H(OC)	109.5080	0.000	1	109.5080	0.000	1	109.5080	0.000	1	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[5a]-3:O-2:O-2:	O-2:	O(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(OSr)(OH)	H(OC)	O(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(OSr)(OH)	H(OC)	104.4025	9.006	2	104.4025	81.114	2	104.4025	81.114	2	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6]-3:O-2:O-2:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]N[6])(OCu)(OH)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]N[6])(OCu)(OH)	H(OC)	107.2000	0.000	1	107.2000	0.000	1	111.1498	8.806	6	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6]-3:O-2:O-2:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]N[6])(ONi)(OH)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]N[6])(ONi)(OH)	H(OC)	112.5625	2.419	4	112.5625	5.851	4	111.1498	8.806	6	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6]-3:O-2:O-2:	O-2:	O(CC[6]O)(H)	C(C[6]N[6]2)(OCo)(OH)	H(OC)	O(CC[6]O)(H)	C(C[6]N[6]2)(OCo)(OH)	H(OC)	109.4490	0.000	1	109.4490	0.000	1	111.1498	8.806	6	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:N-2:O-2:	O-2:	O(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(OH)	H(OC)	O(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(OH)	H(OC)	179.9690	0.000	1	179.9690	0.000	1	179.9690	0.000	1	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:O-2:O-2:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OCo)(OH)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OCo)(OH)	H(OC)	109.4810	0.000	1	109.4810	0.000	1	112.3540	30.424	10	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:O-2:O-2:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OH)2	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OH)2	H(OC)	116.6478	7.092	4	116.6478	50.301	4	112.3540	30.424	10	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:O-2:O-2:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OLi)(OH)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OLi)(OH)	H(OC)	109.5130	0.000	1	109.5130	0.000	1	112.3540	30.424	10	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:O-2:O-2:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OMn)(OH)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(OMn)(OH)	H(OC)	109.4965	0.033	2	109.4965	0.001	2	112.3540	30.424	10	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C[6a]-3:O-2:O-2:	O-2:	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(ONi)(OH)	H(OC)	O(CC[6a]O)(H)	C(C[6a]C[6a]2)(ONi)(OH)	H(OC)	109.4810	0.006	2	109.4810	0.000	2	112.3540	30.424	10	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:N-2:O-2:	O-2:	O(CNN)(H)	C(NC[6a]2)(NC[6a])(OH)	H(OC)	O(CNN)(H)	C(NC[6a]2)(NC[6a])(OH)	H(OC)	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:O-2:O-2:	O-2:	O(CNO)(H)	C(NCC)(OH)(OP)	H(OC)	O(CNO)(H)	C(NCC)(OH)(OP)	H(OC)	109.5175	0.042	2	109.5175	0.002	2	109.5175	0.002	2	112.6312	138.201	41	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CBrC)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CBrC)(CCO)(OH)	H(OC)	116.0920	0.000	1	116.0920	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCC)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CCC)(CCH)(OH)	H(OC)	101.6333	1.679	3	101.6333	2.820	3	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCC)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CCC)(CCO)(OH)	H(OC)	108.4030	0.000	1	108.4030	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCC)(CHP)(OH)	H(OC)	O(CCC)(H)	C(CCC)(CHP)(OH)	H(OC)	104.7435	0.192	2	104.7435	0.037	2	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCC)2(OH)	H(OC)	O(CCC)(H)	C(CCC)2(OH)	H(OC)	106.6520	3.982	2	106.6520	15.860	2	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCH)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CCH)(CCO)(OH)	H(OC)	108.9383	2.462	31	108.9383	6.063	31	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCH)(CCP)(OH)	H(OC)	O(CCC)(H)	C(CCH)(CCP)(OH)	H(OC)	109.4770	0.000	2	109.4770	0.000	2	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCH)(CCS)(OH)	H(OC)	O(CCC)(H)	C(CCH)(CCS)(OH)	H(OC)	109.4995	0.012	2	109.4995	0.000	2	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCH)(COO)(OH)	H(OC)	O(CCC)(H)	C(CCH)(COO)(OH)	H(OC)	105.6513	5.259	4	105.6513	27.654	4	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CCH)2(OH)	H(OC)	O(CCC)(H)	C(CCH)2(OH)	H(OC)	105.7209	3.875	29	105.7209	15.013	29	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[5a]H)(COO)(OH)	H(OC)	O(CCC)(H)	C(CC[5a]H)(COO)(OH)	H(OC)	109.0125	3.259	2	109.0125	10.621	2	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6]H)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CC[6]H)(CCH)(OH)	H(OC)	108.8507	1.876	9	108.8507	3.519	9	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6]H)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CC[6]H)(CCO)(OH)	H(OC)	109.4380	0.000	1	109.4380	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6a]C)(CCC)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]C)(CCC)(OH)	H(OC)	109.4470	0.000	1	109.4470	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6a]C)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]C)(CCH)(OH)	H(OC)	109.4440	0.000	1	109.4440	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6a]H)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]H)(CCO)(OH)	H(OC)	109.4390	0.000	1	109.4390	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6a]H)(CC[6a]O)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]H)(CC[6a]O)(OH)	H(OC)	109.5140	0.000	1	109.5140	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6a]H)(COO)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]H)(COO)(OH)	H(OC)	108.4746	0.799	5	108.4746	0.639	5	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[6a]O)2(OH)	H(OC)	O(CCC)(H)	C(CC[6a]O)2(OH)	H(OC)	107.0710	3.503	2	107.0710	12.271	2	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CClC)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CClC)(CCO)(OH)	H(OC)	120.1380	0.000	1	120.1380	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:O-2:	O-2:	O(CCC)(H)	C(CNN)2(OH)	H(OC)	O(CCC)(H)	C(CNN)2(OH)	H(OC)	109.4660	0.000	1	109.4660	0.000	1	107.7139	13.312	102	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:N-3:O-2:	O-2:	O(CCN)(H)	C(CCC)(NCC)(OH)	H(OC)	O(CCN)(H)	C(CCC)(NCC)(OH)	H(OC)	104.6199	2.011	14	104.6199	4.044	14	104.9249	11.620	22	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:N-3:O-2:	O-2:	O(CCN)(H)	C(CCC)(NCH)(OH)	H(OC)	O(CCN)(H)	C(CCC)(NCH)(OH)	H(OC)	105.0995	5.487	7	105.0995	30.105	7	104.9249	11.620	22	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:N-3:O-2:	O-2:	O(CCN)(H)	C(CCP)(NCH)(OH)	H(OC)	O(CCN)(H)	C(CCP)(NCH)(OH)	H(OC)	107.9740	0.000	1	107.9740	0.000	1	104.9249	11.620	22	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5,6]-3:C[6a]-3:O-2:	O-2:	O(CC[5,6]C[6a])(H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OH)	H(OC)	O(CC[5,6]C[6a])(H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OH)	H(OC)	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5]-3:C-3:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5,6,6]C[5])(CCO)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5,6,6]C[5])(CCO)(OH)	H(OC)	109.5000	0.000	1	109.5000	0.000	1	109.5444	11.222	14	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5]-3:C-3:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5]2)(CCH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5]2)(CCH)(OH)	H(OC)	109.5478	3.487	13	109.5478	12.157	13	109.5444	11.222	14	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5]-3:C[6a]-3:O-2:	O-2:	O(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OH)	H(OC)	O(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OH)	H(OC)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5]-3:N-3:O-2:	O-2:	O(CC[5]N)(H)	C(C[5]C[5]2)(NCH)(OH)	H(OC)	O(CC[5]N)(H)	C(C[5]C[5]2)(NCH)(OH)	H(OC)	113.0620	0.000	1	113.0620	0.000	1	107.6410	25.377	3	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5]-3:N-3:O-2:	O-2:	O(CC[5]N)(H)	C(C[5]C[5]2)(NC[6a]H)(OH)	H(OC)	O(CC[5]N)(H)	C(C[5]C[5]2)(NC[6a]H)(OH)	H(OC)	104.9305	2.583	2	104.9305	6.672	2	107.6410	25.377	3	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5a]-3:C-3:O-2:	O-2:	O(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	H(OC)	O(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	H(OC)	101.7830	0.000	1	101.7830	0.000	1	106.1580	38.281	2	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5a]-3:C-3:O-2:	O-2:	O(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	H(OC)	O(CC[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	H(OC)	110.5330	0.000	1	110.5330	0.000	1	106.1580	38.281	2	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[5a]-3:C[5a]-3:O-2:	O-2:	O(CC[5a]2)(H)	C(C[5a]C[5a]N[5a])2(OH)	H(OC)	O(CC[5a]2)(H)	C(C[5a]C[5a]N[5a])2(OH)	H(OC)	109.4740	0.000	1	109.4740	0.000	1	109.4740	0.000	1	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:C-3:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[6]2)(CCC)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[6]2)(CCC)(OH)	H(OC)	109.5055	0.045	2	109.5055	0.002	2	108.4237	4.628	4	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:C-3:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[6]2)(CCH)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[6]2)(CCH)(OH)	H(OC)	107.3420	3.033	2	107.3420	9.202	2	108.4237	4.628	4	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:C[6a]-3:O-2:	O-2:	O(CC[6a]C[6])(H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC)	O(CC[6a]C[6])(H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	H(OC)	107.3140	2.553	4	107.3140	6.518	4	107.1975	6.568	6	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:C[6a]-3:O-2:	O-2:	O(CC[6a]C[6])(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	H(OC)	O(CC[6a]C[6])(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	H(OC)	106.9645	3.623	2	106.9645	13.123	2	107.1975	6.568	6	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6]-3:N-3:O-2:	O-2:	O(CC[6]N)(H)	C(C[6]C[6]2)(NHH)(OH)	H(OC)	O(CC[6]N)(H)	C(C[6]C[6]2)(NHH)(OH)	H(OC)	107.8710	0.000	3	107.8710	0.000	3	107.8710	0.000	3	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	H(OC)	104.5200	0.000	1	104.5200	0.000	1	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(OH)	H(OC)	109.4470	0.017	3	109.4470	0.000	3	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(OH)	H(OC)	106.5412	3.537	65	106.5412	12.511	65	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCN)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCN)(OH)	H(OC)	109.4350	0.000	1	109.4350	0.000	1	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]Si)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]Si)(OH)	H(OC)	111.6520	0.000	1	111.6520	0.000	1	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]C)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]C)(OH)	H(OC)	106.1990	0.000	1	106.1990	0.000	1	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	H(OC)	108.4765	2.041	4	108.4765	4.167	4	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	H(OC)	109.4580	0.000	1	109.4580	0.000	1	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	H(OC)	109.4720	0.000	1	109.4720	0.000	1	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(OH)	H(OC)	106.6380	0.276	2	106.6380	0.076	2	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C-3:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	H(OC)	109.4460	0.023	3	109.4460	0.001	3	106.9853	11.199	83	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C[5]-3:O-2:	O-2:	O(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	H(OC)	O(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	H(OC)	108.6128	2.726	17	108.6128	7.430	17	108.6128	7.430	17	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:C[6]-3:O-2:	O-2:	O(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	H(OC)	O(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	H(OC)	109.4970	0.000	1	109.4970	0.000	1	109.4970	0.000	1	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:O-2:	O-2:	O(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHH)(OH)	H(OC)	O(CC[6a]N)(H)	C(C[6a]C[6a]2)(NHH)(OH)	H(OC)	111.9363	1.719	6	111.9363	2.956	6	111.0560	7.352	8	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C[6a]-3:N-3:O-2:	O-2:	O(CC[6a]N)(H)	C(C[6a]C[6a]2)(NPtH)(OH)	H(OC)	O(CC[6a]N)(H)	C(C[6a]C[6a]2)(NPtH)(OH)	H(OC)	108.4150	4.253	2	108.4150	18.084	2	111.0560	7.352	8	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:C-3:O-2:	O-2:	O(CCN)(H)	C(NC[6]H)(CCH)(OH)	H(OC)	O(CCN)(H)	C(NC[6]H)(CCH)(OH)	H(OC)	119.7085	8.076	2	119.7085	65.220	2	108.8380	85.935	6	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:C-3:O-2:	O-2:	O(CCN)(H)	C(NC[6a]H)(CCC)(OH)	H(OC)	O(CCN)(H)	C(NC[6a]H)(CCC)(OH)	H(OC)	102.6200	1.140	3	102.6200	1.300	3	108.8380	85.935	6	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:C-3:O-2:	O-2:	O(CCN)(H)	C(NC[6a]H)(CCP)(OH)	H(OC)	O(CCN)(H)	C(NC[6a]H)(CCP)(OH)	H(OC)	105.7510	0.000	1	105.7510	0.000	1	108.8380	85.935	6	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:O-2:	O-2:	O(CNN)(H)	C(NCC)(NHH)(OH)	H(OC)	O(CNN)(H)	C(NCC)(NHH)(OH)	H(OC)	121.4460	0.000	1	121.4460	0.000	1	112.6683	24.588	23	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:O-2:	O-2:	O(CNN)(H)	C(NC[6a]2)(NHH)(OH)	H(OC)	O(CNN)(H)	C(NC[6a]2)(NHH)(OH)	H(OC)	110.9415	3.510	11	110.9415	12.323	11	112.6683	24.588	23	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:O-2:	O-2:	O(CNN)(H)	C(NC[6a]H)2(OH)	H(OC)	O(CNN)(H)	C(NC[6a]H)2(OH)	H(OC)	101.0210	0.000	1	101.0210	0.000	1	112.6683	24.588	23	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:O-2:	O-2:	O(CNN)(H)	C(NHH)2(OH)	H(OC)	O(CNN)(H)	C(NHH)2(OH)	H(OC)	113.9590	2.554	9	113.9590	6.525	9	112.6683	24.588	23	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:O-2:	O-2:	O(CNN)(H)	C(NPtH)(NCC)(OH)	H(OC)	O(CNN)(H)	C(NPtH)(NCC)(OH)	H(OC)	122.9160	0.000	1	122.9160	0.000	1	112.6683	24.588	23	107.9398	16.459	297	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C-3:C-4:O-2:	O-2:	O(CCC)(H)	C(CC[5a]C)(CH3)(OH)	H(OC)	O(CCC)(H)	C(CC[5a]C)(CH3)(OH)	H(OC)	109.4637	0.035	3	109.4637	0.001	3	106.0448	15.491	27	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C-3:C-4:O-2:	O-2:	O(CCC)(H)	C(CC[6]C)(CH3)(OH)	H(OC)	O(CCC)(H)	C(CC[6]C)(CH3)(OH)	H(OC)	104.7367	5.427	8	104.7367	29.447	8	106.0448	15.491	27	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C-3:C-4:O-2:	O-2:	O(CCC)(H)	C(CC[6a]C)(CCHH)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]C)(CCHH)(OH)	H(OC)	105.8095	2.931	4	105.8095	8.590	4	106.0448	15.491	27	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C-3:C-4:O-2:	O-2:	O(CCC)(H)	C(CC[6a]C)(CH3)(OH)	H(OC)	O(CCC)(H)	C(CC[6a]C)(CH3)(OH)	H(OC)	105.8496	3.325	11	105.8496	11.059	11	106.0448	15.491	27	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C-3:C-4:O-2:	O-2:	O(CCC)(H)	C(CIrC)(CH3)(OH)	H(OC)	O(CCC)(H)	C(CIrC)(CH3)(OH)	H(OC)	109.3420	0.000	1	109.3420	0.000	1	106.0448	15.491	27	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[3x5,6]C[5])(CCHH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[3x5,6]C[5])(CCHH)(OH)	H(OC)	109.4500	0.037	2	109.4500	0.001	2	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5,5,6,6]C[5])(CCCH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5,5,6,6]C[5])(CCCH)(OH)	H(OC)	109.3890	0.520	2	109.3890	0.271	2	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5,5,6,6]C[5])(CCHH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5,5,6,6]C[5])(CCHH)(OH)	H(OC)	109.5450	0.000	1	109.5450	0.000	1	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5,6]C[5])(CC[6]HH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5,6]C[5])(CC[6]HH)(OH)	H(OC)	104.0985	4.439	2	104.0985	19.700	2	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5,6]C[5])(CH3)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5,6]C[5])(CH3)(OH)	H(OC)	109.4685	0.015	2	109.4685	0.000	2	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5]2)(CCCH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5]2)(CCCH)(OH)	H(OC)	107.7875	2.416	2	107.7875	5.838	2	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5]2)(CCHH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5]2)(CCHH)(OH)	H(OC)	103.5370	0.000	1	103.5370	0.000	1	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[5]-3:C-4:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(OH)	H(OC)	106.7380	5.289	5	106.7380	27.975	5	107.4799	12.893	17	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6]-3:C-4:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CCHH)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CCHH)(OH)	H(OC)	109.4930	0.000	1	109.4930	0.000	1	106.1550	10.574	7	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6]-3:C-4:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[6]2)(CCCH)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[6]2)(CCCH)(OH)	H(OC)	109.4870	0.000	1	109.4870	0.000	1	106.1550	10.574	7	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6]-3:C-4:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[6]2)(CCHH)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[6]2)(CCHH)(OH)	H(OC)	103.6350	0.000	1	103.6350	0.000	1	106.1550	10.574	7	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6]-3:C-4:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[6]2)(CH3)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[6]2)(CH3)(OH)	H(OC)	105.2140	3.901	3	105.2140	15.217	3	106.1550	10.574	7	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6]-3:C-4:O-2:	O-2:	O(CC[6]C)(H)	C(C[6]C[6]N[6])(CH3)(OH)	H(OC)	O(CC[6]C)(H)	C(C[6]C[6]N[6])(CH3)(OH)	H(OC)	104.8280	0.000	1	104.8280	0.000	1	106.1550	10.574	7	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6a]-3:C-4:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CCCH)(OH)	H(OC)	109.7470	0.000	1	109.7470	0.000	1	110.1082	3.312	6	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6a]-3:C-4:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CF3)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CF3)(OH)	H(OC)	113.3000	0.000	1	113.3000	0.000	1	110.1082	3.312	6	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6a]-3:C-4:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(OH)	H(OC)	109.3310	2.053	2	109.3310	4.217	2	110.1082	3.312	6	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6a]-3:C-4:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCHH)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCHH)(OH)	H(OC)	109.4820	0.000	1	109.4820	0.000	1	110.1082	3.312	6	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	C[6a]-3:C-4:O-2:	O-2:	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(OH)	H(OC)	O(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(OH)	H(OC)	109.4580	0.000	1	109.4580	0.000	1	110.1082	3.312	6	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	N-3:C-4:O-2:	O-2:	O(CCN)(H)	C(NC[3x6]H)(CH3)(OH)	H(OC)	O(CCN)(H)	C(NC[3x6]H)(CH3)(OH)	H(OC)	113.7830	0.000	1	113.7830	0.000	1	112.6222	1.702	8	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	N-3:C-4:O-2:	O-2:	O(CCN)(H)	C(NC[6]H)(CCHH)(OH)	H(OC)	O(CCN)(H)	C(NC[6]H)(CCHH)(OH)	H(OC)	111.4330	0.454	2	111.4330	0.206	2	112.6222	1.702	8	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	N-3:C-4:O-2:	O-2:	O(CCN)(H)	C(NC[6]H)(CH3)(OH)	H(OC)	O(CCN)(H)	C(NC[6]H)(CH3)(OH)	H(OC)	112.5080	0.000	1	112.5080	0.000	1	112.6222	1.702	8	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	3:4:2:	2:	C-3:H-1:	N-3:C-4:O-2:	O-2:	O(CCN)(H)	C(NC[6a]H)(CH3)(OH)	H(OC)	O(CCN)(H)	C(NC[6a]H)(CH3)(OH)	H(OC)	112.9552	1.536	4	112.9552	2.359	4	112.6222	1.702	8	107.6166	15.947	65	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	B-4:O-2:O-1:	O-2:	O(CBO)(H)	C(BH3)(OH)(O)	H(OC)	O(CBO)(H)	C(BH3)(OH)(O)	H(OC)	110.5050	0.000	1	110.5050	0.000	1	109.7853	0.389	3	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	B-4:O-2:O-1:	O-2:	O(CBO)(H)	C(BHHN)(OH)(O)	H(OC)	O(CBO)(H)	C(BHHN)(OH)(O)	H(OC)	109.4390	0.000	1	109.4390	0.000	1	109.7853	0.389	3	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	B-4:O-2:O-1:	O-2:	O(CBO)(H)	C(BN[3x6]HH)(OH)(O)	H(OC)	O(CBO)(H)	C(BN[3x6]HH)(OH)(O)	H(OC)	109.4120	0.000	1	109.4120	0.000	1	109.7853	0.389	3	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CCHH)(OH)(H)	H(OC)	O(CCH)(H)	C(CCHH)(OH)(H)	H(OC)	108.3250	0.000	1	108.3250	0.000	1	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CCHN)(OH)(H)	H(OC)	O(CCH)(H)	C(CCHN)(OH)(H)	H(OC)	109.4260	0.000	1	109.4260	0.000	1	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CCHO)(OH)(H)	H(OC)	O(CCH)(H)	C(CCHO)(OH)(H)	H(OC)	99.8173	0.000	1	99.8173	0.000	1	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CC[5]HH)(OH)(H)	H(OC)	O(CCH)(H)	C(CC[5]HH)(OH)(H)	H(OC)	109.4730	0.000	1	109.4730	0.000	1	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CC[6a]CO)(OH)(H)	H(OC)	O(CCH)(H)	C(CC[6a]CO)(OH)(H)	H(OC)	109.5250	0.000	1	109.5250	0.000	1	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CH3)(OH)(H)	H(OC)	O(CCH)(H)	C(CH3)(OH)(H)	H(OC)	110.0782	1.420	6	110.0782	2.017	6	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:H-1:	O-2:	O(CCH)(H)	C(CSiCO)(OH)(H)	H(OC)	O(CCH)(H)	C(CSiCO)(OH)(H)	H(OC)	109.3970	0.000	1	109.3970	0.000	1	108.8694	9.315	12	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CBr2H)(OH)(O)	H(OC)	O(CCO)(H)	C(CBr2H)(OH)(O)	H(OC)	109.5260	0.000	1	109.5260	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CBr3)(OH)(O)	H(OC)	O(CCO)(H)	C(CBr3)(OH)(O)	H(OC)	117.4720	0.000	1	117.4720	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CBrCC)(OH)(O)	H(OC)	O(CCO)(H)	C(CBrCC)(OH)(O)	H(OC)	109.4355	0.037	2	109.4355	0.001	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CBrCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CBrCH)(OH)(O)	H(OC)	110.2291	2.390	7	110.2291	5.713	7	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC3)(OH)(O)	H(OC)	O(CCO)(H)	C(CC3)(OH)(O)	H(OC)	110.3395	2.199	28	110.3395	4.838	28	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CCCH)(OH)(O)	H(OC)	110.7189	3.397	46	110.7189	11.536	46	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCCN)(OH)(O)	H(OC)	O(CCO)(H)	C(CCCN)(OH)(O)	H(OC)	110.0634	1.950	17	110.0634	3.801	17	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCCO)(OH)(O)	H(OC)	O(CCO)(H)	C(CCCO)(OH)(O)	H(OC)	110.8544	4.686	36	110.8544	21.961	36	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCCS)(OH)(O)	H(OC)	O(CCO)(H)	C(CCCS)(OH)(O)	H(OC)	108.8130	2.870	5	108.8130	8.235	5	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCFF)(OH)(O)	H(OC)	O(CCO)(H)	C(CCFF)(OH)(O)	H(OC)	110.1505	1.644	8	110.1505	2.703	8	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCHH)(OH)(O)	H(OC)	O(CCO)(H)	C(CCHH)(OH)(O)	H(OC)	110.2093	3.572	1451	110.2093	12.762	1451	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCHN)(OH)(O)	H(OC)	O(CCO)(H)	C(CCHN)(OH)(O)	H(OC)	109.7862	2.987	455	109.7862	8.922	455	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCHO)(OH)(O)	H(OC)	O(CCO)(H)	C(CCHO)(OH)(O)	H(OC)	110.2343	2.685	352	110.2343	7.210	352	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCHS)(OH)(O)	H(OC)	O(CCO)(H)	C(CCHS)(OH)(O)	H(OC)	109.4690	0.020	2	109.4690	0.000	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[3]2O)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[3]2O)(OH)(O)	H(OC)	109.4680	0.000	1	109.4680	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[3]C[6]H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[3]C[6]H)(OH)(O)	H(OC)	109.4340	0.000	1	109.4340	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[3]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[3]HH)(OH)(O)	H(OC)	110.6130	1.960	3	110.6130	3.840	3	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[3]HN)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[3]HN)(OH)(O)	H(OC)	108.6190	0.000	1	108.6190	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[3x6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[3x6]HH)(OH)(O)	H(OC)	110.7275	3.244	12	110.7275	10.524	12	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[4]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[4]HH)(OH)(O)	H(OC)	109.4597	0.049	3	109.4597	0.002	3	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5,5,6]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5,5,6]CH)(OH)(O)	H(OC)	109.3430	0.000	1	109.3430	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5,5,6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5,5,6]HH)(OH)(O)	H(OC)	108.3970	0.000	1	108.3970	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5,5]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5,5]HH)(OH)(O)	H(OC)	109.2780	0.000	1	109.2780	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5,6]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5,6]CH)(OH)(O)	H(OC)	107.8350	2.415	2	107.8350	5.835	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5,6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5,6]HH)(OH)(O)	H(OC)	109.4590	0.000	1	109.4590	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]CH)(OH)(O)	H(OC)	109.7796	0.758	21	109.7796	0.575	21	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]FH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]FH)(OH)(O)	H(OC)	109.4950	0.000	1	109.4950	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]HH)(OH)(O)	H(OC)	110.7603	2.695	36	110.7603	7.261	36	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]HN)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]HN)(OH)(O)	H(OC)	109.4805	0.015	2	109.4805	0.000	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5]HO)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5]HO)(OH)(O)	H(OC)	109.0510	0.955	2	109.0510	0.911	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5a]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5a]CH)(OH)(O)	H(OC)	109.5120	0.000	1	109.5120	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[5a]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[5a]HH)(OH)(O)	H(OC)	109.8716	2.901	62	109.8716	8.413	62	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6,6]CO)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6,6]CO)(OH)(O)	H(OC)	109.4490	0.040	2	109.4490	0.002	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6,6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6,6]HH)(OH)(O)	H(OC)	109.5775	0.122	2	109.5775	0.015	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]CC)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]CC)(OH)(O)	H(OC)	109.4010	0.000	1	109.4010	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]CH)(OH)(O)	H(OC)	109.9354	2.627	14	109.9354	6.899	14	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]CO)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]CO)(OH)(O)	H(OC)	109.4630	0.000	1	109.4630	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]HH)(OH)(O)	H(OC)	109.6882	2.235	52	109.6882	4.996	52	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]HN)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]HN)(OH)(O)	H(OC)	114.6875	17.766	2	114.6875	315.633	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6]HO)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6]HO)(OH)(O)	H(OC)	109.4760	0.000	1	109.4760	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]2C)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]2C)(OH)(O)	H(OC)	108.7782	2.591	5	108.7782	6.713	5	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]2H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]2H)(OH)(O)	H(OC)	115.1540	0.000	1	115.1540	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]2O)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]2O)(OH)(O)	H(OC)	86.5434	0.000	1	86.5434	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]3)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]3)(OH)(O)	H(OC)	112.2060	0.000	1	112.2060	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]CC)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]CC)(OH)(O)	H(OC)	109.2560	1.261	6	109.2560	1.589	6	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]CH)(OH)(O)	H(OC)	109.7626	2.366	96	109.7626	5.598	96	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]CO)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]CO)(OH)(O)	H(OC)	108.9824	1.900	7	108.9824	3.608	7	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]C[5]H)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]C[5]H)(OH)(O)	H(OC)	109.3920	0.000	1	109.3920	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]C[5]O)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]C[5]O)(OH)(O)	H(OC)	109.4515	0.021	2	109.4515	0.000	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]FF)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]FF)(OH)(O)	H(OC)	109.5010	0.000	1	109.5010	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]HH)(OH)(O)	H(OC)	110.3956	3.121	88	110.3956	9.743	88	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]HN)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]HN)(OH)(O)	H(OC)	110.8019	3.682	19	110.8019	13.556	19	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]HO)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]HO)(OH)(O)	H(OC)	109.4356	1.797	74	109.4356	3.230	74	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CC[6a]HS)(OH)(O)	H(OC)	O(CCO)(H)	C(CC[6a]HS)(OH)(O)	H(OC)	109.5470	0.000	1	109.5470	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCl2H)(OH)(O)	H(OC)	O(CCO)(H)	C(CCl2H)(OH)(O)	H(OC)	111.4598	2.651	6	111.4598	7.026	6	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCl3)(OH)(O)	H(OC)	O(CCO)(H)	C(CCl3)(OH)(O)	H(OC)	109.5850	7.551	7	109.5850	57.015	7	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CClCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CClCH)(OH)(O)	H(OC)	115.8140	0.000	1	115.8140	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CClHH)(OH)(O)	H(OC)	O(CCO)(H)	C(CClHH)(OH)(O)	H(OC)	109.4537	0.029	3	109.4537	0.001	3	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CCuCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CCuCH)(OH)(O)	H(OC)	118.1890	0.000	1	118.1890	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CF3)(OH)(O)	H(OC)	O(CCO)(H)	C(CF3)(OH)(O)	H(OC)	110.1709	4.182	20	110.1709	17.487	20	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CFeCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CFeCH)(OH)(O)	H(OC)	109.4180	0.000	1	109.4180	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CH3)(OH)(O)	H(OC)	O(CCO)(H)	C(CH3)(OH)(O)	H(OC)	110.5388	3.784	126	110.5388	14.322	126	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CHHN)(OH)(O)	H(OC)	O(CCO)(H)	C(CHHN)(OH)(O)	H(OC)	110.3088	3.416	210	110.3088	11.671	210	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CHHO)(OH)(O)	H(OC)	O(CCO)(H)	C(CHHO)(OH)(O)	H(OC)	110.0950	2.088	105	110.0950	4.358	105	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CHHP)(OH)(O)	H(OC)	O(CCO)(H)	C(CHHP)(OH)(O)	H(OC)	108.7765	1.504	10	108.7765	2.261	10	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CHHS)(OH)(O)	H(OC)	O(CCO)(H)	C(CHHS)(OH)(O)	H(OC)	110.8285	3.924	54	110.8285	15.398	54	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[3x6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[3x6]HH)(OH)(O)	H(OC)	109.4770	0.033	3	109.4770	0.001	3	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[5]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[5]CH)(OH)(O)	H(OC)	109.7039	0.844	22	109.7039	0.713	22	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[5]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[5]HH)(OH)(O)	H(OC)	110.6527	2.632	42	110.6527	6.925	42	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[5a]2H)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[5a]2H)(OH)(O)	H(OC)	107.9195	1.755	4	107.9195	3.080	4	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[5a]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[5a]CH)(OH)(O)	H(OC)	109.4760	0.000	1	109.4760	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[5a]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[5a]HH)(OH)(O)	H(OC)	110.5725	3.464	43	110.5725	11.997	43	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[6]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[6]CH)(OH)(O)	H(OC)	109.8928	3.801	12	109.8928	14.445	12	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[6]HH)(OH)(O)	H(OC)	108.4897	1.820	20	108.4897	3.314	20	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[6a]CH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[6a]CH)(OH)(O)	H(OC)	109.4680	0.000	1	109.4680	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CN[6a]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CN[6a]HH)(OH)(O)	H(OC)	109.7617	2.304	16	109.7617	5.309	16	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CPdCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CPdCH)(OH)(O)	H(OC)	109.4395	0.056	2	109.4395	0.003	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CPtHH)(OH)(O)	H(OC)	O(CCO)(H)	C(CPtHH)(OH)(O)	H(OC)	109.5387	0.047	3	109.5387	0.002	3	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CRuCH)(OH)(O)	H(OC)	O(CCO)(H)	C(CRuCH)(OH)(O)	H(OC)	109.4670	0.000	1	109.4670	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CS[5,6]HH)(OH)(O)	H(OC)	O(CCO)(H)	C(CS[5,6]HH)(OH)(O)	H(OC)	109.5080	0.000	1	109.5080	0.000	1	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CSeHH)(OH)(O)	H(OC)	O(CCO)(H)	C(CSeHH)(OH)(O)	H(OC)	105.8895	5.051	2	105.8895	25.511	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:O-2:O-1:	O-2:	O(CCO)(H)	C(CSiCO)(OH)(O)	H(OC)	O(CCO)(H)	C(CSiCO)(OH)(O)	H(OC)	107.1230	1.298	2	107.1230	1.685	2	110.1339	10.603	3660	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3,5]-4:O-2:O-1:	O-2:	O(CC[3,5]O)(H)	C(C[3,5]C[3,5]C[3]C[5])(OH)(O)	H(OC)	O(CC[3,5]O)(H)	C(C[3,5]C[3,5]C[3]C[5])(OH)(O)	H(OC)	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:H-1:	O-2:	O(CC[3]H)(H)	C(C[3]C[3]N[3]H)(OH)(H)	H(OC)	O(CC[3]H)(H)	C(C[3]C[3]N[3]H)(OH)(H)	H(OC)	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3,5]2C)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3,5]2C)(OH)(O)	H(OC)	108.3120	0.000	1	108.3120	0.000	1	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3,5]2C[6])(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3,5]2C[6])(OH)(O)	H(OC)	109.4815	0.013	2	109.4815	0.000	2	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3,5]2C[6a])(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3,5]2C[6a])(OH)(O)	H(OC)	109.6665	0.305	2	109.6665	0.093	2	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3,5]2H)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3,5]2H)(OH)(O)	H(OC)	109.4590	0.045	2	109.4590	0.002	2	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3,6,6]2H)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3,6,6]2H)(OH)(O)	H(OC)	109.4690	0.066	3	109.4690	0.004	3	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3,6]2H)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3,6]2H)(OH)(O)	H(OC)	109.1827	1.169	3	109.1827	1.367	3	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]2C)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]2C)(OH)(O)	H(OC)	109.9548	1.715	10	109.9548	2.940	10	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]2C[5])(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]2C[5])(OH)(O)	H(OC)	109.4506	0.055	5	109.4506	0.003	5	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]2F)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]2F)(OH)(O)	H(OC)	111.7455	3.256	2	111.7455	10.603	2	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]2H)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]2H)(OH)(O)	H(OC)	110.8271	2.608	20	110.8271	6.802	20	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]2N)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]2N)(OH)(O)	H(OC)	109.8500	0.000	1	109.8500	0.000	1	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]2O)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]2O)(OH)(O)	H(OC)	109.4730	0.000	1	109.4730	0.000	1	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[3]N[3]H)(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[3]N[3]H)(OH)(O)	H(OC)	109.4900	0.000	1	109.4900	0.000	1	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3]-4:O-2:O-1:	O-2:	O(CC[3]O)(H)	C(C[3]C[6a]C[3]O[3])(OH)(O)	H(OC)	O(CC[3]O)(H)	C(C[3]C[6a]C[3]O[3])(OH)(O)	H(OC)	109.7980	0.000	1	109.7980	0.000	1	110.1282	3.721	54	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3x4,3x6]-4:O-2:O-1:	O-2:	O(CC[3x4,3x6]O)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(O)	H(OC)	O(CC[3x4,3x6]O)(H)	C(C[3x4,3x6]C[3x4,3x6]3)(OH)(O)	H(OC)	111.6801	5.851	7	111.6801	34.234	7	111.6801	34.234	7	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3x4]-4:O-2:O-1:	O-2:	O(CC[3x4]O)(H)	C(C[3x4]C[4,4]3)(OH)(O)	H(OC)	O(CC[3x4]O)(H)	C(C[3x4]C[4,4]3)(OH)(O)	H(OC)	110.4739	2.088	10	110.4739	4.360	10	110.4739	4.360	10	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[3x6]-4:O-2:O-1:	O-2:	O(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(OH)(O)	H(OC)	O(CC[3x6]O)(H)	C(C[3x6]C[6,6]3)(OH)(O)	H(OC)	110.2902	2.549	26	110.2902	6.497	26	110.2902	6.497	26	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4,5]-4:O-2:O-1:	O-2:	O(CC[4,5]O)(H)	C(C[4,5]C[4,5,5]2H)(OH)(O)	H(OC)	O(CC[4,5]O)(H)	C(C[4,5]C[4,5,5]2H)(OH)(O)	H(OC)	109.4860	0.000	1	109.4860	0.000	1	113.1323	39.997	3	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4,5]-4:O-2:O-1:	O-2:	O(CC[4,5]O)(H)	C(C[4,5]C[4,5]2S[5])(OH)(O)	H(OC)	O(CC[4,5]O)(H)	C(C[4,5]C[4,5]2S[5])(OH)(O)	H(OC)	114.9555	7.749	2	114.9555	60.050	2	113.1323	39.997	3	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4,6,6]-4:O-2:O-1:	O-2:	O(CC[4,6,6]O)(H)	C(C[4,6,6]C[4,6]C[6,6]N[4,6])(OH)(O)	H(OC)	O(CC[4,6,6]O)(H)	C(C[4,6,6]C[4,6]C[6,6]N[4,6])(OH)(O)	H(OC)	109.4880	0.000	1	109.4880	0.000	1	109.4880	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4,6]-4:O-2:O-1:	O-2:	O(CC[4,6]O)(H)	C(C[4,6]C[4,4,6]2H)(OH)(O)	H(OC)	O(CC[4,6]O)(H)	C(C[4,6]C[4,4,6]2H)(OH)(O)	H(OC)	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4,5]C[4]H)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4,5]C[4]H)(OH)(O)	H(OC)	109.3932	1.922	4	109.3932	3.695	4	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4,6a]C[4]H)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4,6a]C[4]H)(OH)(O)	H(OC)	114.7870	0.000	1	114.7870	0.000	1	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]2C)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]2C)(OH)(O)	H(OC)	109.2815	0.577	11	109.2815	0.333	11	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]2Co)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]2Co)(OH)(O)	H(OC)	109.4573	0.087	3	109.4573	0.008	3	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]2H)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]2H)(OH)(O)	H(OC)	110.4419	3.719	68	110.4419	13.830	68	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]2N)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]2N)(OH)(O)	H(OC)	109.2700	0.185	2	109.2700	0.034	2	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]2O)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]2O)(OH)(O)	H(OC)	113.7010	0.000	1	113.7010	0.000	1	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]N[4]H)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]N[4]H)(OH)(O)	H(OC)	109.5123	1.761	3	109.5123	3.102	3	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]C[4]O[4]C)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]C[4]O[4]C)(OH)(O)	H(OC)	109.3955	0.120	2	109.3955	0.014	2	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[4]-4:O-2:O-1:	O-2:	O(CC[4]O)(H)	C(C[4]N[4,6a]S[4]H)(OH)(O)	H(OC)	O(CC[4]O)(H)	C(C[4]N[4,6a]S[4]H)(OH)(O)	H(OC)	106.9160	0.000	1	106.9160	0.000	1	110.2017	10.667	96	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,5,6]-4:O-2:O-1:	O-2:	O(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5,6,6]C[5,6]2)(OH)(O)	H(OC)	O(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5,6,6]C[5,6]2)(OH)(O)	H(OC)	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,5]-4:O-2:O-1:	O-2:	O(CC[5,5]O)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(OH)(O)	H(OC)	O(CC[5,5]O)(H)	C(C[5,5]C[3,5,5]C[3x5]H)(OH)(O)	H(OC)	116.7400	0.000	1	116.7400	0.000	1	116.7400	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:C-1:	O-2:	O(CC[5,6]C)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	H(OC)	O(CC[5,6]C)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(C)	H(OC)	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]2H)(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]2H)(OH)(O)	H(OC)	109.5944	2.540	5	109.5944	6.453	5	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(OH)(O)	H(OC)	110.2993	3.744	55	110.2993	14.019	55	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5,6]O)(OH)(O)	H(OC)	109.4640	0.000	1	109.4640	0.000	1	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,5,6]C[5]C[6])(OH)(O)	H(OC)	109.4460	0.000	1	109.4460	0.000	1	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,6,6a]C[5]C[6])(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6,6a]C[5]C[6])(OH)(O)	H(OC)	107.8220	0.000	1	107.8220	0.000	1	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]2C[6])(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]2C[6])(OH)(O)	H(OC)	108.9640	1.127	5	108.9640	1.269	5	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(OH)(O)	H(OC)	109.4179	0.785	25	109.4179	0.616	25	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,6]-4:O-2:O-1:	O-2:	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	H(OC)	O(CC[5,6]O)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	H(OC)	109.8295	0.721	4	109.8295	0.520	4	109.9047	8.630	97	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:H-1:	O-2:	O(CC[5]H)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	H(OC)	O(CC[5]H)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	H(OC)	109.4710	0.000	1	109.4710	0.000	1	109.5050	0.002	2	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:H-1:	O-2:	O(CC[5]H)(H)	C(C[5]C[5]O[5]H)(OH)(H)	H(OC)	O(CC[5]H)(H)	C(C[5]C[5]O[5]H)(OH)(H)	H(OC)	109.5390	0.000	1	109.5390	0.000	1	109.5050	0.002	2	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[4,5]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[4,5]C[5]H)(OH)(O)	H(OC)	109.1604	2.385	5	109.1604	5.688	5	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,5,6]2H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,5,6]2H)(OH)(O)	H(OC)	109.3883	0.053	3	109.3883	0.003	3	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,5,6]C[5,6a]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,5,6]C[5,6a]H)(OH)(O)	H(OC)	109.5250	0.000	1	109.5250	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,5,6]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,5,6]C[5]H)(OH)(O)	H(OC)	109.4670	0.000	1	109.4670	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,5]C[5]C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,5]C[5]C)(OH)(O)	H(OC)	109.5282	0.069	4	109.5282	0.005	4	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(OH)(O)	H(OC)	108.9305	0.638	4	108.9305	0.407	4	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6]C[5]H)(OH)(O)	H(OC)	110.7399	2.220	8	110.7399	4.930	8	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]2C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]2C)(OH)(O)	H(OC)	109.4410	0.020	2	109.4410	0.000	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5,6]C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5,6]C)(OH)(O)	H(OC)	109.4800	0.000	1	109.4800	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5]H)(OH)(O)	H(OC)	111.0933	3.924	6	111.0933	15.400	6	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5]O)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[5]O)(OH)(O)	H(OC)	109.5060	0.000	1	109.5060	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]C[6a]C[5])(OH)(O)	H(OC)	109.4625	0.026	2	109.4625	0.001	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]O[5]C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]O[5]C)(OH)(O)	H(OC)	109.4930	0.000	1	109.4930	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5,6a]S[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5,6a]S[5]H)(OH)(O)	H(OC)	106.9050	0.000	1	106.9050	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2C)(OH)(O)	H(OC)	109.5230	0.398	20	109.5230	0.159	20	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2Co)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2Co)(OH)(O)	H(OC)	109.8821	4.716	7	109.8821	22.238	7	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2Cr)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2Cr)(OH)(O)	H(OC)	111.6280	0.000	1	111.6280	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2Fe)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2Fe)(OH)(O)	H(OC)	110.0188	3.840	26	110.0188	14.742	26	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2H)(OH)(O)	H(OC)	109.6875	1.584	48	109.6875	2.509	48	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2N)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2N)(OH)(O)	H(OC)	118.9890	0.000	1	118.9890	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2O)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2O)(OH)(O)	H(OC)	110.0006	1.178	5	110.0006	1.389	5	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2Re)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2Re)(OH)(O)	H(OC)	109.5097	0.029	4	109.5097	0.001	4	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2Ru)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2Ru)(OH)(O)	H(OC)	118.1735	4.559	6	118.1735	20.784	6	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]2W)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]2W)(OH)(O)	H(OC)	113.5165	1.094	2	113.5165	1.197	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5]C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5]C)(OH)(O)	H(OC)	109.9982	4.349	5	109.9982	18.914	5	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]N[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]N[5]H)(OH)(O)	H(OC)	109.8812	2.641	112	109.8812	6.974	112	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]O[5]C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]O[5]C)(OH)(O)	H(OC)	111.1390	0.000	1	111.1390	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]O[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]O[5]H)(OH)(O)	H(OC)	110.9265	2.352	11	110.9265	5.531	11	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]O[5]N)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]O[5]N)(OH)(O)	H(OC)	109.4420	0.000	1	109.4420	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[5]S[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[5]S[5]H)(OH)(O)	H(OC)	109.4340	0.000	1	109.4340	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[6a]C[5]2)(OH)(O)	H(OC)	113.3330	0.000	1	113.3330	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[6a]C[5]N[5])(OH)(O)	H(OC)	111.5870	2.612	2	111.5870	6.823	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]C[6a]C[5]O[5])(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]C[6a]C[5]O[5])(OH)(O)	H(OC)	109.4775	0.037	2	109.4775	0.001	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]N[4,5]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]N[4,5]C[5]H)(OH)(O)	H(OC)	109.4415	0.019	2	109.4415	0.000	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]N[5,5]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]N[5,5]C[5]H)(OH)(O)	H(OC)	111.0030	2.168	2	111.0030	4.700	2	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]N[5,6a]C[5]H)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]N[5,6a]C[5]H)(OH)(O)	H(OC)	111.7450	3.485	3	111.7450	12.148	3	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]N[5]2C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]N[5]2C)(OH)(O)	H(OC)	109.4560	0.000	1	109.4560	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]O[5]2C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]O[5]2C)(OH)(O)	H(OC)	113.3100	0.000	1	113.3100	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:O-2:O-1:	O-2:	O(CC[5]O)(H)	C(C[5]O[5]P[5]C)(OH)(O)	H(OC)	O(CC[5]O)(H)	C(C[5]O[5]P[5]C)(OH)(O)	H(OC)	109.4420	0.000	1	109.4420	0.000	1	110.1405	7.902	306	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[3x6]C[6,6]H)(OH)(O)	H(OC)	109.8845	3.925	19	109.8845	15.409	19	109.6841	10.818	42	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[4,6,6]C[6,6]O)(OH)(O)	H(OC)	109.4553	0.022	3	109.4553	0.000	3	109.6841	10.818	42	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[4x6]C[6,6]H)(OH)(O)	H(OC)	109.2452	0.331	4	109.2452	0.109	4	109.6841	10.818	42	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[5,6]C[6,6]C[6])(OH)(O)	H(OC)	100.9730	0.000	1	100.9730	0.000	1	109.6841	10.818	42	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[6,6]2C[6])(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[6,6]2C[6])(OH)(O)	H(OC)	110.0260	0.672	4	110.0260	0.452	4	109.6841	10.818	42	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:O-2:O-1:	O-2:	O(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(OH)(O)	H(OC)	O(CC[6,6]O)(H)	C(C[6,6]C[6,6]C[6]2)(OH)(O)	H(OC)	110.2275	2.884	11	110.2275	8.319	11	109.6841	10.818	42	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[5,6]2C[6a])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[5,6]2C[6a])(OH)(O)	H(OC)	108.5880	0.000	1	108.5880	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[5,6]C[6,6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[5,6]C[6,6]H)(OH)(O)	H(OC)	107.2760	0.000	1	107.2760	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[5,6]C[6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[5,6]C[6]H)(OH)(O)	H(OC)	109.4304	1.420	8	109.4304	2.016	8	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[5a,6]C[5,6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[5a,6]C[5,6]H)(OH)(O)	H(OC)	109.1347	0.609	3	109.1347	0.371	3	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[5a,6]C[6,6]H)(OH)(O)	H(OC)	109.7610	0.000	1	109.7610	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6]C[6]C)(OH)(O)	H(OC)	109.5190	1.795	52	109.5190	3.222	52	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6]C[6]H)(OH)(O)	H(OC)	109.4577	0.077	10	109.4577	0.006	10	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6a]2C[6])(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6a]2C[6])(OH)(O)	H(OC)	110.5757	1.831	4	110.5757	3.351	4	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6a]2H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6a]2H)(OH)(O)	H(OC)	108.6590	3.289	2	108.6590	10.821	2	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6]F)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6]F)(OH)(O)	H(OC)	109.4700	0.000	1	109.4700	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(OH)(O)	H(OC)	110.9704	3.536	12	110.9704	12.505	12	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2Br)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2Br)(OH)(O)	H(OC)	109.2920	0.000	1	109.2920	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2C)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2C)(OH)(O)	H(OC)	110.6569	4.632	39	110.6569	21.454	39	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2Cr)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2Cr)(OH)(O)	H(OC)	117.3875	0.288	2	117.3875	0.083	2	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2H)(OH)(O)	H(OC)	109.6518	2.437	214	109.6518	5.937	214	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2N)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2N)(OH)(O)	H(OC)	108.1332	1.659	5	108.1332	2.752	5	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]2O)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]2O)(OH)(O)	H(OC)	110.7750	0.000	1	110.7750	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]3)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]3)(OH)(O)	H(OC)	110.0250	0.000	1	110.0250	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]N[6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]N[6]H)(OH)(O)	H(OC)	111.1757	5.713	14	111.1757	32.638	14	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]O[6]C)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]O[6]C)(OH)(O)	H(OC)	109.5060	0.000	1	109.5060	0.000	1	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6]O[6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6]O[6]H)(OH)(O)	H(OC)	109.4710	0.020	4	109.4710	0.000	4	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]C[6a]C[6]2)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]C[6a]C[6]2)(OH)(O)	H(OC)	112.9350	12.258	2	112.9350	150.268	2	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]N[5a,6]C[6]H)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]N[5a,6]C[6]H)(OH)(O)	H(OC)	109.4770	0.037	6	109.4770	0.001	6	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6]-4:O-2:O-1:	O-2:	O(CC[6]O)(H)	C(C[6]S[6]2C)(OH)(O)	H(OC)	O(CC[6]O)(H)	C(C[6]S[6]2C)(OH)(O)	H(OC)	109.4355	0.069	2	109.4355	0.005	2	109.8472	8.421	387	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:1:	2:	C-3:H-1:	Si[3x6]-4:O-2:O-1:	O-2:	O(CSi[3x6]O)(H)	C(Si[3x6]Si[6,6]3)(OH)(O)	H(OC)	O(CSi[3x6]O)(H)	C(Si[3x6]Si[6,6]3)(OH)(O)	H(OC)	109.4520	0.000	1	109.4520	0.000	1	109.4520	0.000	1	110.1078	10.133	4713	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:N-2:O-2:	O-2:	O(CCN)(H)	C(CH3)(NNi)(OH)	H(OC)	O(CCN)(H)	C(CH3)(NNi)(OH)	H(OC)	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CC3)(OFe)(OH)	H(OC)	O(CCO)(H)	C(CC3)(OFe)(OH)	H(OC)	109.5770	0.000	1	109.5770	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CC3)(OMg)(OH)	H(OC)	O(CCO)(H)	C(CC3)(OMg)(OH)	H(OC)	109.5110	0.039	4	109.5110	0.002	4	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CC3)(OMn)(OH)	H(OC)	O(CCO)(H)	C(CC3)(OMn)(OH)	H(OC)	109.5455	0.061	4	109.5455	0.004	4	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CC3)(ONi)(OH)	H(OC)	O(CCO)(H)	C(CC3)(ONi)(OH)	H(OC)	109.4840	0.000	1	109.4840	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCHH)(OCo)(OH)	H(OC)	O(CCO)(H)	C(CCHH)(OCo)(OH)	H(OC)	116.3355	9.704	2	116.3355	94.160	2	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCHH)(OCu)(OH)	H(OC)	O(CCO)(H)	C(CCHH)(OCu)(OH)	H(OC)	179.9265	0.015	2	179.9265	0.000	2	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCHH)(OMn)(OH)	H(OC)	O(CCO)(H)	C(CCHH)(OMn)(OH)	H(OC)	109.5330	0.103	2	109.5330	0.011	2	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCHH)(ONi)(OH)	H(OC)	O(CCO)(H)	C(CCHH)(ONi)(OH)	H(OC)	109.5500	0.000	1	109.5500	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCHH)(OSn)(OH)	H(OC)	O(CCO)(H)	C(CCHH)(OSn)(OH)	H(OC)	112.4110	0.000	1	112.4110	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCHN)(OCu)(OH)	H(OC)	O(CCO)(H)	C(CCHN)(OCu)(OH)	H(OC)	109.4980	0.000	1	109.4980	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CCl3)(OMo)(OH)	H(OC)	O(CCO)(H)	C(CCl3)(OMo)(OH)	H(OC)	109.4330	0.000	1	109.4330	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CH3)(OC)(OH)	H(OC)	O(CCO)(H)	C(CH3)(OC)(OH)	H(OC)	109.5350	0.000	1	109.5350	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CH3)(OCo)(OH)	H(OC)	O(CCO)(H)	C(CH3)(OCo)(OH)	H(OC)	111.0750	0.000	1	111.0750	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CH3)(OIr)(OH)	H(OC)	O(CCO)(H)	C(CH3)(OIr)(OH)	H(OC)	109.4510	0.000	1	109.4510	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CH3)(OMg)(OH)	H(OC)	O(CCO)(H)	C(CH3)(OMg)(OH)	H(OC)	109.4690	0.000	1	109.4690	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CH3)(ONi)(OH)	H(OC)	O(CCO)(H)	C(CH3)(ONi)(OH)	H(OC)	109.1320	0.000	1	109.1320	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CHHN)(OCo)(OH)	H(OC)	O(CCO)(H)	C(CHHN)(OCo)(OH)	H(OC)	109.4730	0.000	1	109.4730	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CHHN)(OMn)(OH)	H(OC)	O(CCO)(H)	C(CHHN)(OMn)(OH)	H(OC)	108.5080	0.000	1	108.5080	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CHHN)(ONi)(OH)	H(OC)	O(CCO)(H)	C(CHHN)(ONi)(OH)	H(OC)	109.4860	0.000	1	109.4860	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:2:2:	2:	C-3:H-1:	C-4:O-2:O-2:	O-2:	O(CCO)(H)	C(CHHN)(OZn)(OH)	H(OC)	O(CCO)(H)	C(CHHN)(OZn)(OH)	H(OC)	109.4960	0.000	1	109.4960	0.000	1	114.9446	330.709	29	114.7600	320.327	30	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CC3)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CC3)(CCH)(OH)	H(OC)	104.4910	0.000	1	104.4910	0.000	1	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CCFF)(CCC)(OH)	H(OC)	O(CCC)(H)	C(CCFF)(CCC)(OH)	H(OC)	109.5025	0.013	2	109.5025	0.000	2	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CCFF)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CCFF)(CCH)(OH)	H(OC)	109.4715	0.012	2	109.4715	0.000	2	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CCHH)(CCC)(OH)	H(OC)	O(CCC)(H)	C(CCHH)(CCC)(OH)	H(OC)	103.7620	0.000	1	103.7620	0.000	1	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CC[5]HH)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CC[5]HH)(CCO)(OH)	H(OC)	101.7650	0.000	1	101.7650	0.000	1	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CF3)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CF3)(CCH)(OH)	H(OC)	112.7545	6.043	4	112.7545	36.517	4	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CH3)(CCC)(OH)	H(OC)	O(CCC)(H)	C(CH3)(CCC)(OH)	H(OC)	106.5052	4.111	17	106.5052	16.903	17	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CH3)(CCH)(OH)	H(OC)	O(CCC)(H)	C(CH3)(CCH)(OH)	H(OC)	106.7358	6.732	13	106.7358	45.315	13	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CH3)(CCO)(OH)	H(OC)	O(CCC)(H)	C(CH3)(CCO)(OH)	H(OC)	109.3690	0.000	1	109.3690	0.000	1	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:O-2:	O-2:	O(CCC)(H)	C(CH3)(CCS)(OH)	H(OC)	O(CCC)(H)	C(CH3)(CCS)(OH)	H(OC)	105.8876	3.915	8	105.8876	15.331	8	107.0722	25.567	50	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C[5]-3:O-2:	O-2:	O(CC[5]C)(H)	C(CC[3x6]HH)(C[5]C[5]2)(OH)	H(OC)	O(CC[5]C)(H)	C(CC[3x6]HH)(C[5]C[5]2)(OH)	H(OC)	130.5940	0.000	1	130.5940	0.000	1	130.5940	0.000	1	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:O-2:	O-2:	O(CCN)(H)	C(CCHH)(NCC)(OH)	H(OC)	O(CCN)(H)	C(CCHH)(NCC)(OH)	H(OC)	109.3610	0.000	1	109.3610	0.000	1	112.4694	21.884	7	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:O-2:	O-2:	O(CCN)(H)	C(CCHH)(NPtH)(OH)	H(OC)	O(CCN)(H)	C(CCHH)(NPtH)(OH)	H(OC)	111.4645	3.685	2	111.4645	13.577	2	112.4694	21.884	7	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:O-2:	O-2:	O(CCN)(H)	C(CH3)(NCC)(OH)	H(OC)	O(CCN)(H)	C(CH3)(NCC)(OH)	H(OC)	115.6900	8.787	2	115.6900	77.203	2	112.4694	21.884	7	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:N-3:O-2:	O-2:	O(CCN)(H)	C(CH3)(NCH)(OH)	H(OC)	O(CCN)(H)	C(CH3)(NCH)(OH)	H(OC)	111.8080	2.687	2	111.8080	7.220	2	112.4694	21.884	7	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C[5]-4:C-3:O-2:	O-2:	O(CC[5]C)(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	H(OC)	O(CC[5]C)(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	H(OC)	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C[6]-4:C[5]-3:O-2:	O-2:	O(CC[5]C[6])(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5,5]C[5])(OH)	H(OC)	O(CC[5]C[6])(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5,5]C[5])(OH)	H(OC)	109.4690	0.000	1	109.4690	0.000	1	108.1338	8.928	5	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C[6]-4:C[5]-3:O-2:	O-2:	O(CC[5]C[6])(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2)(OH)	H(OC)	O(CC[5]C[6])(H)	C(C[6]C[5,6]C[6]H)(C[5]C[5]2)(OH)	H(OC)	109.5030	0.000	1	109.5030	0.000	1	108.1338	8.928	5	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C[6]-4:C[5]-3:O-2:	O-2:	O(CC[5]C[6])(H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]2)(OH)	H(OC)	O(CC[5]C[6])(H)	C(C[6]C[6,6]C[6]H)(C[5]C[5]2)(OH)	H(OC)	107.2323	3.848	3	107.2323	14.808	3	108.1338	8.928	5	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C[6]-4:C[6]-3:O-2:	O-2:	O(CC[6]2)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(OH)	H(OC)	O(CC[6]2)(H)	C(C[6]C[6]2H)(C[6]C[6]2)(OH)	H(OC)	109.4160	0.027	2	109.4160	0.001	2	109.4160	0.001	2	108.1887	32.570	66	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:4:2:	2:	C-3:H-1:	C-4:C-4:O-2:	O-2:	O(CCC)(H)	C(CCHH)2(OH)	H(OC)	O(CCC)(H)	C(CCHH)2(OH)	H(OC)	111.1470	0.000	1	111.1470	0.000	1	110.0227	0.948	3	110.0227	0.948	3	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:4:2:	2:	C-3:H-1:	C-4:C-4:O-2:	O-2:	O(CCC)(H)	C(CH3)2(OH)	H(OC)	O(CCC)(H)	C(CH3)2(OH)	H(OC)	109.4620	0.000	1	109.4620	0.000	1	110.0227	0.948	3	110.0227	0.948	3	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	4:4:2:	2:	C-3:H-1:	C-4:C-4:O-2:	O-2:	O(CCC)(H)	C(CHHO)2(OH)	H(OC)	O(CCC)(H)	C(CHHO)2(OH)	H(OC)	109.4590	0.000	1	109.4590	0.000	1	110.0227	0.948	3	110.0227	0.948	3	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	6:2:1:	2:	C-3:H-1:	C[5x3,5x5,20x6]-6:O-2:O-1:	O-2:	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	H(OC)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OH)(O)	H(OC)	111.9093	7.566	3	111.9093	57.245	3	110.9267	24.192	6	110.9267	24.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	6:2:1:	2:	C-3:H-1:	C[5x3,5x5,20x6]-6:O-2:O-1:	O-2:	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	H(OC)	O(CC[5x3,5x5,20x6]O)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(OH)(O)	H(OC)	109.9440	0.582	3	109.9440	0.338	3	110.9267	24.192	6	110.9267	24.192	6	110.1708	11.633	11587	110.1708	11.633	11587
893	930	951	0:SP2_SP-NON_SP2	O	C	H	3:1:	7:2:1:	2:	C-3:H-1:	C-7:O-2:O-1:	O-2:	O(CCO)(H)	C(CH6)(OH)(O)	H(OC)	O(CCO)(H)	C(CH6)(OH)(O)	H(OC)	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	111.0460	0.000	1	110.1708	11.633	11587	110.1708	11.633	11587