992	643	940	0:SP3_SP-NON_SP2	P	C[6a]	P	3:2:1:1:	3:3:4:	3:4:	C[6a]-3:P-2:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(PC[6a])(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP)	P(C[6a]C[6a]2)(PC[6a]HO)	P(C[6a]C[6a]2)(PC[6a])(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)(PC[6a]HO)	98.1316	1.321	4	98.1316	1.745	4	98.1316	1.745	4	98.1316	1.745	4	109.6055	46.873	35	109.6055	46.873	35
992	643	940	0:SP3_SP-NON_SP2	P	C[6a]	P	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:P-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(PP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	P(PC[6a]2N)2	P(C[6a]C[6a]2)2(NP)(PP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	P(PC[6a]2N)2	108.0298	4.996	4	108.0298	24.955	4	108.0298	24.955	4	108.0298	24.955	4	109.6055	46.873	35	109.6055	46.873	35
992	643	940	0:SP3_SP-NON_SP2	P	C[6a]	P	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)3(PP)	C[6a](C[6a]C[6a]H)2(PC[6a]2P)	P(PC[6a]3)2	P(C[6a]C[6a]2)3(PP)	C[6a](C[6a]C[6a]H)2(PC[6a]2P){1|C<3>,2|H<1>}	P(PC[6a]3)2	112.2785	5.032	23	112.2785	25.325	23	112.2785	25.325	23	112.2785	25.325	23	109.6055	46.873	35	109.6055	46.873	35
992	643	940	0:SP3_SP-NON_SP2	P	C[6a]	P	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:P-2:	P-4:C[6a]-3:C[6a]-3:	P-4:P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	C[6a](PC[6a]C[5]P)(C[6a]C[6a]H)2	P(PC[6a]2C[5])2	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	C[6a](PC[6a]C[5]P)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	P(PC[6a]2C[5])2	107.2859	8.833	4	107.2859	78.015	4	107.2859	78.015	4	107.2859	78.015	4	109.6055	46.873	35	109.6055	46.873	35
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	2:3:3:3:	3:3:4:	5:4:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[3x3,4,3x5,14x6]-5:P-4:	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2N)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2N){1|C<3>,2|H<1>}	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	108.7933	7.868	3	108.7933	61.899	3	112.1831	29.399	44	112.1831	29.399	44	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	2:3:3:3:	3:3:4:	5:4:	N-2:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[3x3,4,3x5,14x6]-5:P-4:	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]3)	112.4311	5.252	41	112.4311	27.584	41	112.1831	29.399	44	112.1831	29.399	44	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	2:3:3:4:	3:3:4:	5:4:	N-2:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[3x3,4,3x5,14x6]-5:P-4:	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]2C)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PC[6a]2C)	115.5025	2.572	2	115.5025	6.614	2	115.5025	6.614	2	115.5025	6.614	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:2:1:1:	3:3:4:	4:4:	C[6a]-3:N-2:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)(NC)(S)2	C[6a](C[6a]C[6a]H)2(PNSS)	N(PC[6a]SS)(CCHH)	P(C[6a]C[6a]2)(NC)(S)2	C[6a](C[6a]C[6a]H)2(PNSS){1|C<3>,2|H<1>}	N(PC[6a]SS)(CCHH)	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	107.2150	0.000	1	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:2:4:4:	3:3:4:	4:4:	C[6a]-3:N-2:B-4:C-4:	C[6a]-3:C[6a]-3:P-4:	C[5]-4:P-4:	P(C[6a]C[6a]2)(NC[5])(BH3)(CC3)	C[6a](C[6a]C[6a]H)2(PBCN)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	P(C[6a]C[6a]2)(NC[5])(BH3)(CC3)	C[6a](C[6a]C[6a]H)2(PBCN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6a]C[6a]2)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)	103.5583	1.749	4	103.5583	3.060	4	103.5583	3.060	4	103.4454	4.690	8	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	C[5]-3:P-4:	P(C[6a]C[6a]2)2(NC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[5]C[5,6a]C[5])(PC[6a]2S)	P(C[6a]C[6a]2)2(NC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5])(PC[6a]2S)	102.1100	2.483	2	102.1100	6.167	2	102.1100	6.167	2	103.4454	4.690	8	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:P-4:	P(C[6a]C[6a]2)2(NC[5a])(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(C[5a]N[5a]S[5a])(PC[6a]2Se)	P(C[6a]C[6a]2)2(NC[5a])(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(C[5a]N[5a]S[5a])(PC[6a]2Se)	104.5550	3.377	2	104.5550	11.405	2	104.5550	11.405	2	103.4454	4.690	8	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)2(NC)(Cl)	C[6a](C[6a]C[6a]H)2(PC[6a]ClN)	N(PC[6a]2Cl)(CC[6a]N)	P(C[6a]C[6a]2)2(NC)(Cl)	C[6a](C[6a]C[6a]H)2(PC[6a]ClN){1|C<3>,2|H<1>}	N(PC[6a]2Cl)(CC[6a]N)	110.8898	3.611	6	110.8898	13.036	6	110.8898	13.036	6	105.9596	26.231	14	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CC[6a]C)	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CC[6a]C)	101.7756	1.572	6	101.7756	2.470	6	101.7756	2.470	6	105.9596	26.231	14	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)2(NC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(CC[6a]H)	P(C[6a]C[6a]2)2(NC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CC[6a]H)	103.7210	1.602	2	103.7210	2.567	2	103.7210	2.567	2	105.9596	26.231	14	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6]NO)	N(PC[6a]C[6]O)(CC[6a]CH)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6]NO){1|C<3>,2|H<1>}	N(PC[6a]C[6]O)(CC[6a]CH)	104.7415	0.104	2	104.7415	0.011	2	104.7415	0.011	2	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]C)2(PC[6a]NO)	N(CC[6a]CH)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]C)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)	108.7160	5.100	2	108.7160	26.006	2	106.7690	17.482	10	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CH)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)	107.0700	4.188	6	107.0700	17.543	6	106.7690	17.482	10	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]C[3]C)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]C[3]C)(PC[6a]2O)	103.9190	4.387	2	103.9190	19.245	2	106.7690	17.482	10	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)	P(C[6a]C[6a]2)2(NC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)	106.8090	2.997	2	106.8090	8.980	2	106.8090	8.980	2	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(PC[6a]3)	P(C[6a]C[6a]2)2(NP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(PC[6a]3)	106.3165	2.153	2	106.3165	4.636	2	106.8498	1.249	6	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(NP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)2	107.1165	0.503	4	107.1165	0.253	4	106.8498	1.249	6	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PO3)	P(C[6a]C[6a]2)2(NP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PO3)	104.2465	0.216	2	104.2465	0.047	2	105.7345	6.564	6	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(NP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	106.4785	2.951	4	106.4785	8.710	4	105.7345	6.564	6	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(PC[6a]2O)	P(C[6a]C[6a]2)2(NP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(PC[6a]2O)	104.8095	0.046	2	104.8095	0.002	2	105.9990	6.417	6	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(NP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	106.5938	3.046	4	106.5938	9.279	4	105.9990	6.417	6	106.3216	8.042	32	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(C[6a]C[6a]2)(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2N)	115.1865	4.060	2	115.1865	16.480	2	115.1865	16.480	2	109.7308	21.706	6	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:P-4:	C[5]-3:P-4:	P(C[6a]C[6a]2)2(NC[5])(OIr)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[5]N[5]O[5])(PC[6a]2O)	P(C[6a]C[6a]2)2(NC[5])(OIr)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(PC[6a]2O)	107.6340	0.846	2	107.6340	0.715	2	107.6340	0.715	2	109.7308	21.706	6	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:P-4:	C[5]-3:P-4:	P(C[6a]C[6a]2)2(NC[5])(SIr)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[5]N[5]S[5])(PC[6a]2S)	P(C[6a]C[6a]2)2(NC[5])(SIr)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[5]N[5]S[5])(PC[6a]2S)	106.3720	0.672	2	106.3720	0.451	2	106.3720	0.451	2	109.7308	21.706	6	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6]-3:N-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	C[6a](C[6a]C[6a]H)2(PC[6]NN)	N(PC[6a]C[6]N)(CN)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	C[6a](C[6a]C[6a]H)2(PC[6]NN){1|C<3>,2|H<1>}	N(PC[6a]C[6]N)(CN)	111.1310	0.632	2	111.1310	0.400	2	111.1310	0.400	2	108.6682	10.041	6	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(NC)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(PC[6a]2N)(CN)	P(C[6a]C[6a]2)2(NC)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(PC[6a]2N)(CN)	107.4368	3.246	4	107.4368	10.537	4	107.4368	10.537	4	108.6682	10.041	6	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:B-3:	P(C[6a]C[6a]2)2(CC)(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(BC[6a]2)	P(C[6a]C[6a]2)2(CC)(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(BC[6a]2)	110.6388	0.747	4	110.6388	0.559	4	110.6388	0.559	4	110.6388	0.559	4	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6]SeN)	N(PC[6a]C[6]Se)(PC[6a]2O)	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6]SeN){1|C<3>,2|H<1>}	N(PC[6a]C[6]Se)(PC[6a]2O)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(CC)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(PBCC)	P(C[6a]C[6a]2)2(CC)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(PBCC)	113.4640	7.962	2	113.4640	63.394	2	113.4640	63.394	2	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(NSi)(CP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(NSi)(CP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	110.2350	0.869	4	110.2350	0.756	4	110.2350	0.756	4	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(C[6]C[6]2H)(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6a])(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)	107.0430	7.589	2	107.0430	57.588	2	107.0430	57.588	2	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(PC[6a]2Ni)(PC[6a]2N)	P(C[6a]C[6a]2)2(NP)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(PC[6a]2Ni)(PC[6a]2N)	108.0105	1.124	4	108.0105	1.263	4	108.0105	1.263	4	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(OP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2Se)(PC[6a]2O)	P(C[6a]C[6a]2)2(NP)(OP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2Se)(PC[6a]2O)	111.8200	6.701	2	111.8200	44.897	2	111.8200	44.897	2	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:P-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(PP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	N(PC[6a]2P)2	P(C[6a]C[6a]2)2(NP)(PP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	N(PC[6a]2P)2	107.3850	4.485	4	107.3850	20.115	4	107.3850	20.115	4	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(OSn)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)	P(C[6a]C[6a]2)2(OSn)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)	103.8290	0.000	1	103.8290	0.000	1	105.7075	7.058	2	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(OSn)(NC)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NO)	N(PC[6a]2O)(CCCH)	P(C[6a]C[6a]2)2(OSn)(NC)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)	107.5860	0.000	1	107.5860	0.000	1	105.7075	7.058	2	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(OIr)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(OIr)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)2	108.5793	1.681	54	108.5793	2.827	54	108.5293	3.013	74	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(ONi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(PC[6a]2S)	P(C[6a]C[6a]2)2(ONi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(PC[6a]2S)	107.9095	0.408	2	107.9095	0.166	2	108.5293	3.013	74	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(ONi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]C[6]Se)(PC[6a]2O)	P(C[6a]C[6a]2)2(ONi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]C[6]Se)(PC[6a]2O)	107.5680	0.969	2	107.5680	0.938	2	108.5293	3.013	74	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(OPt)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(OPt)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)2	108.5665	1.872	8	108.5665	3.506	8	108.5293	3.013	74	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(ORu)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(ORu)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)2	108.5495	2.442	8	108.5495	5.964	8	108.5293	3.013	74	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SAg)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SAg)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	106.6720	2.368	8	106.6720	5.607	8	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SBi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PCCO)	P(C[6a]C[6a]2)2(SBi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PCCO)	109.1380	2.249	2	109.1380	5.056	2	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SCo)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SCo)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PCCS)	108.4970	2.544	2	108.4970	6.473	2	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SIr)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SIr)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	107.7742	2.012	20	107.7742	4.047	20	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SMn)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SMn)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PCCS)	108.3935	2.137	4	108.3935	4.565	4	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SMo)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SMo)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	108.6946	1.366	12	108.6946	1.865	12	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2O)(PC[6a]2S)	P(C[6a]C[6a]2)2(SNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2O)(PC[6a]2S)	106.2370	1.468	2	106.2370	2.155	2	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PCCS)	109.4403	3.190	6	109.4403	10.175	6	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SNi)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	108.7495	2.143	4	108.7495	4.593	4	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SOs)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SOs)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	109.3496	2.369	8	109.3496	5.610	8	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SPd)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(POOS)	P(C[6a]C[6a]2)2(SPd)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(POOS)	107.4730	1.164	2	107.4730	1.355	2	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SRe)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SRe)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	108.8159	2.655	16	108.8159	7.047	16	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SRu)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SRu)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)2	107.8327	2.858	24	107.8327	8.171	24	108.2267	5.773	110	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeAg)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeAg)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	104.7608	2.157	8	104.7608	4.651	8	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeFe)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeFe)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	108.0574	2.098	8	108.0574	4.402	8	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeMn)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeMn)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	107.6142	2.541	8	107.6142	6.457	8	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeOs)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeOs)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	108.7135	2.874	4	108.7135	8.260	4	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeRu)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeRu)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	107.8102	3.009	16	107.8102	9.055	16	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeTe)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(PCCS)	P(C[6a]C[6a]2)2(SeTe)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(PCCS)	108.0413	1.365	4	108.0413	1.863	4	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeY)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeY)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	107.9651	3.075	16	107.9651	9.455	16	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(SeYb)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeYb)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2	107.6815	3.599	8	107.6815	12.954	8	107.5602	8.197	72	108.1830	6.610	277	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	112.5180	3.092	8	112.5180	9.559	8	110.5291	14.725	24	110.1946	14.945	26	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(CCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[6a]2)2(NC[6a])(CCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	112.1887	5.413	4	112.1887	29.302	4	110.5291	14.725	24	110.1946	14.945	26	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(CHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	108.6500	2.997	12	108.6500	8.985	12	110.5291	14.725	24	110.1946	14.945	26	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:O-3:	C[6a]-3:C[6a]-3:P-4:	C[5]-3:P-4:	P(C[6a]C[6a]2)2(NC[5])(OIrH)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[5]N[5]O[5])(PC[6a]2O)	P(C[6a]C[6a]2)2(NC[5])(OIrH)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[5]N[5]O[5])(PC[6a]2O)	106.1805	0.162	2	106.1805	0.026	2	106.1805	0.026	2	110.1946	14.945	26	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-4:	C[5a,6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(PC[6a]2C)	108.8762	3.450	4	108.8762	11.905	4	108.8762	11.905	4	111.3938	20.133	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	113.7595	3.284	4	113.7595	10.783	4	112.2330	21.135	12	111.3938	20.133	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(CHHN)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]N[6a])(PC[6a]2C)	P(C[6a]C[6a]2)2(NC[6a])(CHHN)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2C)	109.4250	6.930	2	109.4250	48.020	2	112.2330	21.135	12	111.3938	20.133	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:4:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	112.1513	5.039	6	112.1513	25.397	6	112.2330	21.135	12	111.3938	20.133	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:4:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:C-4:	C[6a]-3:C[6a]-3:P-4:	C[3x6]-4:P-4:	P(C[6a]C[6a]2)2(NC[3x6])(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[3x6]C[6,6]3)(PC[6a]2C)	P(C[6a]C[6a]2)2(NC[3x6])(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]2C)	113.1869	5.365	8	113.1869	28.780	8	113.1869	28.780	8	113.1869	28.780	8	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(PC[6a]3)	110.5474	4.385	5	110.5474	19.227	5	110.5474	19.227	5	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	B[6,6]-3:P-4:	P(C[6a]C[6a]2)3(NB[6,6])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(B[6,6]C[6,6]2)(PC[6a]3)	P(C[6a]C[6a]2)3(NB[6,6])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(B[6,6]C[6,6]2)(PC[6a]3)	112.9613	3.778	3	112.9613	14.270	3	112.9613	14.270	3	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[5]-3:P-4:	P(C[6a]C[6a]2)3(NC[5])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[5]N[5]2)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[5])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[5]N[5]2)(PC[6a]3)	111.9882	5.408	6	111.9882	29.250	6	111.9882	29.250	6	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:P-4:	P(C[6a]C[6a]2)3(NC[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[5a]C[5a]N[5a])(PC[6a]3)	P(C[6a]C[6a]2)3(NC[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(PC[6a]3)	112.4385	5.526	6	112.4385	30.536	6	111.8121	26.716	15	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:P-4:	P(C[6a]C[6a]2)3(NC[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[5a]C[5a]S[5a])(PC[6a]3)	P(C[6a]C[6a]2)3(NC[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[5a]C[5a]S[5a])(PC[6a]3)	111.3113	5.344	6	111.3113	28.558	6	111.8121	26.716	15	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:P-4:	P(C[6a]C[6a]2)3(NC[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[5a]N[5a]2)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[5a]N[5a]2)(PC[6a]3)	111.5610	6.104	3	111.5610	37.253	3	111.8121	26.716	15	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	113.0793	4.148	10	113.0793	17.209	10	111.7473	22.197	58	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	106.4080	0.000	1	106.4080	0.000	1	111.7473	22.197	58	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	110.9170	5.622	3	110.9170	31.606	3	111.7473	22.197	58	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)	111.5260	4.574	26	111.5260	20.920	26	111.7473	22.197	58	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[6a]N[6a])(PC[6a]3)	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]3)	112.1627	5.182	12	112.1627	26.858	12	111.7473	22.197	58	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]N[6a]2)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]N[6a]2)(PC[6a]3)	110.9605	5.888	6	110.9605	34.663	6	111.7473	22.197	58	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	S[5]-3:P-4:	P(C[6a]C[6a]2)3(NS[5])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(S[5]N[5]S[5])(PC[6a]3)	P(C[6a]C[6a]2)3(NS[5])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(S[5]N[5]S[5])(PC[6a]3)	111.1129	5.087	9	111.1129	25.874	9	111.0756	25.999	12	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	S[5]-3:P-4:	P(C[6a]C[6a]2)3(NS[5])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(S[5]Se[5]N[5])(PC[6a]3)	P(C[6a]C[6a]2)3(NS[5])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(S[5]Se[5]N[5])(PC[6a]3)	110.9637	6.283	3	110.9637	39.474	3	111.0756	25.999	12	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(C[6a]C[6a]2)(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2N)	109.5510	4.780	2	109.5510	22.849	2	109.5510	22.849	2	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	N(C[6]C[6]N[6])(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2P)	113.2285	0.926	2	113.2285	0.857	2	113.2285	0.857	2	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	N(C[6a]C[6a]2)(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2P)	110.9813	6.652	4	110.9813	44.246	4	110.9813	44.246	4	111.6305	22.318	107	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6a]-3:P-4:	P-4:N-2:	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2N)	N(PC[6a]3)(NO)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NN)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2N){1|C<4>,1|H<1>,2|C<3>}	N(PC[6a]3)(NO)	101.2350	0.000	1	101.2350	0.000	1	101.2350	0.000	1	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CN)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CN)	109.9533	3.652	3	109.9533	13.338	3	109.9533	13.338	3	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:N-2:	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)2(PC[6a]2N)	N(PC[6a]3)(NO)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(NO)	109.7550	0.721	2	109.7550	0.520	2	110.4783	27.639	26	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:N-2:	P(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]F)2(PC[6a]2N)	N(PC[6a]3)(NN)	P(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]F)2(PC[6a]2N){1|C<3>,2|F<1>}	N(PC[6a]3)(NN)	107.9077	4.940	3	107.9077	24.406	3	110.4783	27.639	26	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:N-2:	P(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(NC)	P(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(NC)	111.8809	5.420	12	111.8809	29.372	12	110.4783	27.639	26	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:N-2:	P(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(NN)	P(C[6a]C[6a]2)3(NN)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(NN)	109.6257	5.783	9	109.6257	33.441	9	110.4783	27.639	26	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Se-2:	P(C[6a]C[6a]2)3(NSe)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(SeN)	P(C[6a]C[6a]2)3(NSe)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(SeN)	110.8047	5.022	6	110.8047	25.217	6	110.8047	25.217	6	110.2322	26.528	36	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:B-3:	P(C[6a]C[6a]2)3(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(BC[6]2)	P(C[6a]C[6a]2)3(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(BC[6]2)	113.3870	5.454	3	113.3870	29.748	3	112.7162	21.517	9	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:B-3:	P(C[6a]C[6a]2)3(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(BC[6a]2)	P(C[6a]C[6a]2)3(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(BC[6a]2)	112.3808	4.703	6	112.3808	22.123	6	112.7162	21.517	9	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2N)	N(PC[6a]3)(CC[6a]O)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC[6a]O)	105.0270	0.000	1	105.0270	0.000	1	111.7144	23.090	39	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CCC)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CCC)	112.6097	5.302	18	112.6097	28.111	18	111.7144	23.090	39	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CCN)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CCN)	111.4902	4.521	9	111.4902	20.442	9	111.7144	23.090	39	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CCO)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CCO)	110.8887	5.118	3	110.8887	26.189	3	111.7144	23.090	39	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CC[6]O)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC[6]O)	110.0928	4.316	6	110.0928	18.627	6	111.7144	23.090	39	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CC[6a]O)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC[6a]O)	114.1115	1.249	2	114.1115	1.561	2	111.7144	23.090	39	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2N)	N(PC[6a]3)(PC[6a]2)	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2N){1|C<3>,1|H<1>,1|N<2>}	N(PC[6a]3)(PC[6a]2)	111.2910	0.000	1	111.2910	0.000	1	112.2007	10.717	3	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(PC[6a]2)	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(PC[6a]2)	112.6555	4.494	2	112.6555	20.193	2	112.2007	10.717	3	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:S-3:	P(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(SC[6a]2)	P(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(SC[6a]2)	110.4380	4.558	3	110.4380	20.777	3	110.4380	20.777	3	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:	P(C[6a]C[6a]2)2(PC[6a]2)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	N(PC[6a]2P)(PC[6a]2)	P(C[6a]C[6a]2)2(PC[6a]2)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	N(PC[6a]2P)(PC[6a]2)	112.1135	5.694	2	112.1135	32.425	2	112.1135	32.425	2	111.8473	21.071	56	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(CC3)	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(CC3)	117.2810	2.447	2	117.2810	5.986	2	112.7115	33.949	4	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(CHP)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(CCCH)	P(C[6a]C[6a]2)2(CHP)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(CCCH)	108.1420	3.513	2	108.1420	12.341	2	112.7115	33.949	4	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(CNS)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2Ru)(PC[6a]2C)	P(C[6a]C[6a]2)2(CNS)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2Ru)(PC[6a]2C)	110.9527	5.288	4	110.9527	27.963	4	110.9527	27.963	4	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CCC)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CCC)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	115.5750	1.209	2	115.5750	1.462	2	113.3678	6.305	32	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CCP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CCP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	113.7222	2.103	26	113.7222	4.423	26	113.3678	6.305	32	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CGeP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CGeP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	111.8210	2.178	2	111.8210	4.743	2	113.3678	6.305	32	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CSbP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CSbP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	108.1015	2.330	2	108.1015	5.429	2	113.3678	6.305	32	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(CC[6]HH)(PC[6a]3)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(CC[6]HH)(PC[6a]3)	112.5517	3.973	6	112.5517	15.786	6	112.0919	20.343	11	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(CC[6a]HH)(PC[6a]3)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]3)	111.5402	5.516	5	111.5402	30.427	5	112.0919	20.343	11	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[3x6]-4:P-4:	P(C[6a]C[6a]2)3(NC[3x6])	C[6a](C[6a]C[6a]C)2(PC[6a]2N)	N(C[3x6]C[6,6]3)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[3x6])	C[6a](C[6a]C[6a]C)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]3)	119.3720	0.000	1	119.3720	0.000	1	114.2843	31.380	6	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[3x6]-4:P-4:	P(C[6a]C[6a]2)3(NC[3x6])	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[3x6]C[6,6]3)(PC[6a]3)	P(C[6a]C[6a]2)3(NC[3x6])	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]3)	113.2668	5.609	5	113.2668	31.460	5	114.2843	31.380	6	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CC3)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC3)	117.8105	1.794	4	117.8105	3.219	4	112.9114	21.289	15	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CCHH)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CCHH)	111.9651	3.913	9	111.9651	15.309	9	112.9114	21.289	15	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2N)	N(PC[6a]3)(CC3)	P(C[6a]C[6a]2)3(NC)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC3)	107.3715	0.688	2	107.3715	0.473	2	112.9114	21.289	15	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]2C[6])(PC[6a]3)	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]2C[6])(PC[6a]3)	111.3127	2.349	12	111.3127	5.520	12	111.2306	8.310	1837	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]2O)(PC[6a]3)	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]2O)(PC[6a]3)	112.7880	4.383	3	112.7880	19.208	3	111.2306	8.310	1837	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(PCl2N)	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(PCl2N)	110.5887	3.580	9	110.5887	12.820	9	111.2306	8.310	1837	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)2	P(C[6a]C[6a]2)3(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)2	111.2307	2.881	1813	111.2307	8.303	1813	111.2306	8.310	1837	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:S-4:	P(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(SCOO)	P(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(SCOO)	110.5513	4.972	6	110.5513	24.719	6	110.5513	24.719	6	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)3(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N)	N(PC[6a]3)(SiC3)	P(C[6a]C[6a]2)3(NSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(SiC3)	111.2880	0.000	1	111.2880	0.000	1	113.5333	5.004	6	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)3(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(SiC3)	P(C[6a]C[6a]2)3(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(SiC3)	113.9824	2.178	5	113.9824	4.743	5	113.5333	5.004	6	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:P-4:	S-4:P-4:	P(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(SC[6a]OO)(PC[6a]3)	P(C[6a]C[6a]2)3(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(SC[6a]OO)(PC[6a]3)	111.1667	4.996	6	111.1667	24.956	6	111.1667	24.956	6	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:	P(C[6a]C[6a]2)2(NCH)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(CC[6a]CH)(PC[6a]2N)	P(C[6a]C[6a]2)2(NCH)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2N)	111.4287	5.389	8	111.4287	29.044	8	111.4287	29.044	8	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(NCP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(PC[6a]2N)(SiC3)	P(C[6a]C[6a]2)2(NCP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(PC[6a]2N)(SiC3)	113.9245	3.145	2	113.9245	9.888	2	113.9245	9.888	2	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(PAgP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	N(PC[6a]2P)2	P(C[6a]C[6a]2)2(PAgP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	N(PC[6a]2P)2	108.5380	3.807	4	108.5380	14.496	4	108.5380	14.496	4	111.2985	8.845	1941	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:C[6a]-3:	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a])	C[6a](PC[6a]C[5]N)(C[6a]C[6a]H)2	N(PC[6a]2C[5])(C[6a]C[6a]2)	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a])	C[6a](PC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[5])(C[6a]C[6a]2)	110.8310	4.750	2	110.8310	22.566	2	110.8310	22.566	2	110.8310	22.566	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	4:3:3:	4:4:	C[4]-3:C[6a]-3:C[6a]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:Si-4:	P(C[4]As[4]P[4])(C[6a]C[6a]2)2(NSi)	C[6a](PC[6a]C[4]N)(C[6a]C[6a]H)2	N(PC[6a]2C[4])(SiC3)	P(C[4]As[4]P[4])(C[6a]C[6a]2)2(NSi)	C[6a](PC[6a]C[4]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[4])(SiC3)	109.7955	4.812	2	109.7955	23.154	2	110.1072	9.649	4	112.0184	6.758	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	4:3:3:	4:4:	C[4]-3:C[6a]-3:C[6a]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:Si-4:	P(C[4]Ge[4]P[4])(C[6a]C[6a]2)2(NSi)	C[6a](PC[6a]C[4]N)(C[6a]C[6a]H)2	N(PC[6a]2C[4])(SiC3)	P(C[4]Ge[4]P[4])(C[6a]C[6a]2)2(NSi)	C[6a](PC[6a]C[4]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[4])(SiC3)	110.4190	2.325	2	110.4190	5.405	2	110.1072	9.649	4	112.0184	6.758	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	4:3:3:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:P-4:	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	C[6a](PC[5a]C[6a]N)(C[6a]C[6a]H)2	N(PC[5a]C[6a]2)(PO3)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	C[6a](PC[5a]C[6a]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[5a]C[6a]2)(PO3)	113.5535	3.860	2	113.5535	14.900	2	113.5535	14.900	2	112.0184	6.758	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[6a]-3:C[6a]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:Si-4:	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	C[6a](PC[6a]C[6]N)(C[6a]C[6a]H)2	N(PC[6a]2C[6])(SiC3)	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	C[6a](PC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[6])(SiC3)	111.4175	3.300	2	111.4175	10.890	2	111.4175	10.890	2	112.0184	6.758	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	4:3:3:	4:4:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6a](PC[6a]C[6]N)(C[6a]C[6a]H)2	N(PC[6a]2C[6])(PC[6a]3)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6a](PC[6a]C[6]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[6])(PC[6a]3)	112.7405	1.789	8	112.7405	3.202	8	112.7405	3.202	8	112.0184	6.758	16	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)	114.5565	0.967	2	114.5565	0.934	2	114.5565	0.934	2	114.5565	0.934	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:S-3:	P(C[6a]C[6a]2)2(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SC[6a]2)	P(C[6a]C[6a]2)2(CCHH)(NS)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SC[6a]2)	110.1280	7.788	2	110.1280	60.654	2	110.1280	60.654	2	110.1280	60.654	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(CHHP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(PO3)	111.4671	3.455	10	111.4671	11.937	10	110.7182	10.402	20	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(CHHP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(POOS)	P(C[6a]C[6a]2)2(CHHP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(POOS)	110.3410	3.129	4	110.3410	9.789	4	110.7182	10.402	20	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(CRuHN)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2Ru)(PC[6a]2C)	P(C[6a]C[6a]2)2(CRuHN)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2Ru)(PC[6a]2C)	109.1915	2.140	2	109.1915	4.581	2	110.7182	10.402	20	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(CRuHP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(POOS)	P(C[6a]C[6a]2)2(CRuHP)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(POOS)	109.9868	3.798	4	109.9868	14.424	4	110.7182	10.402	20	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CC[5]HH)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CC[5]HH)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	114.8855	1.677	2	114.8855	2.811	2	114.8999	1.871	8	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CHHP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CHHP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	116.1825	1.716	2	116.1825	2.945	2	114.8999	1.871	8	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CHHS)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CHHS)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	114.6125	1.356	2	114.6125	1.837	2	114.8999	1.871	8	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:	P(C[6a]C[6a]2)2(CRhHP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)	P(C[6a]C[6a]2)2(CRhHP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)	113.9190	0.351	2	113.9190	0.123	2	114.8999	1.871	8	111.9130	11.506	28	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:3:5:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:B-5:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(BFeH3)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2Fe)(PC[6a]2B)	P(C[6a]C[6a]2)2(BFeH3)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2Fe)(PC[6a]2B)	109.9500	2.509	2	109.9500	6.294	2	109.9500	6.294	2	109.9500	6.294	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:4:2:2:	3:3:4:	4:4:	C[6a]-3:C-4:N-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)(CH3)(NP)2	C[6a](C[6a]C[6a]H)2(PCNN)	N(PC[6a]CN)2	P(C[6a]C[6a]2)(CH3)(NP)2	C[6a](C[6a]C[6a]H)2(PCNN){1|C<3>,2|H<1>}	N(PC[6a]CN)2	107.7258	2.781	24	107.7258	7.736	24	107.7258	7.736	24	107.7258	7.736	24	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:	P(C[6a]C[6a]2)(CC3)2(NH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCCN)	N(PC[6a]CC)(H)	P(C[6a]C[6a]2)(CC3)2(NH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCCN){2|H<1>,3|C<3>}	N(PC[6a]CC)(H)	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	4:3:3:2:	4:3:3:	4:3:	C[3]-4:C[6a]-3:C[6a]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:P-3:	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	C[6a](PC[6a]C[3]N)(C[6a]C[6a]H)2	N(PC[6a]2C[3])(PC[6a]C[3])	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	C[6a](PC[6a]C[3]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[3])(PC[6a]C[3])	113.4890	0.932	2	113.4890	0.869	2	113.4890	0.869	2	113.4890	0.869	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	941	0:SP3_SP2_SP2	P	C[6a]	N	4:3:3:2:	4:3:3:	4:4:	C[4,5]-4:C[6a]-3:C[6a]-3:N-2:	P-4:C[6a]-3:C[6a]-3:	P-4:Si-4:	P(C[4,5]Ge[4,5]N[5]P[4])(C[6a]C[6a]2)2(NSi)	C[6a](PC[4,5]C[6a]N)(C[6a]C[6a]H)2	N(PC[4,5]C[6a]2)(SiC3)	P(C[4,5]Ge[4,5]N[5]P[4])(C[6a]C[6a]2)2(NSi)	C[6a](PC[4,5]C[6a]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[4,5]C[6a]2)(SiC3)	113.6375	1.569	2	113.6375	2.462	2	113.6375	2.462	2	113.6375	2.462	2	110.8585	11.860	2666	110.8585	11.860	2666
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	2:3:3:1:	4:3:3:	4:	Nb[10x3]-2:C[6a]-3:C[6a]-3:I-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(Nb[10x3]C[3,3,5]10C)(C[6a]C[6a]2)2(I)	C[6a](PNb[10x3]C[6a]I)(C[6a]C[6a]H)2	I(PNb[10x3]C[6a]2)	P(Nb[10x3]C[3,3,5]10C)(C[6a]C[6a]2)2(I)	C[6a](PNb[10x3]C[6a]I)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	I(PNb[10x3]C[6a]2)	100.7397	1.191	2	100.7397	1.419	2	100.7397	1.419	2	100.7397	1.419	2	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2I)	I(PC[6a]3)	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2I){2|H<1>,3|C<3>}	I(PC[6a]3)	115.2200	0.000	1	115.2200	0.000	1	109.1456	12.180	60	109.1456	12.180	60	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2I)	I(PC[6a]3)	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2I){1|C<3>,2|H<1>}	I(PC[6a]3)	109.4943	2.993	7	109.4943	8.957	7	109.1456	12.180	60	109.1456	12.180	60	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2I)	I(PC[6a]3)	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2I){1|C<3>,2|H<1>}	I(PC[6a]3)	111.8111	3.974	7	111.8111	15.793	7	109.1456	12.180	60	109.1456	12.180	60	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2I)	I(PC[6a]3)	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2I){1|C<3>,2|H<1>}	I(PC[6a]3)	110.5404	3.499	7	110.5404	12.246	7	109.1456	12.180	60	109.1456	12.180	60	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(PC[6a]2I)	I(PC[6a]3)	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(PC[6a]2I){1|C<3>,1|C<4>,1|H<1>}	I(PC[6a]3)	108.6948	1.640	6	108.1735	9.720	38	109.1456	12.180	60	109.1456	12.180	60	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(PC[6a]2I)	I(PC[6a]3)	P(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]H)2(PC[6a]2I){1|C<3>,2|H<1>}	I(PC[6a]3)	108.0757	3.332	32	108.1735	9.720	38	109.1456	12.180	60	109.1456	12.180	60	108.9551	14.230	63	108.9551	14.230	63
992	643	944	0:SP3_SP-NON_SP2	P	C[6a]	I	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C-4:I-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C[6a](C[6a]C[6a]H)2(PC[6]CI)	I(PC[6a]C[6]C)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C[6a](C[6a]C[6a]H)2(PC[6]CI){1|C<3>,2|H<1>}	I(PC[6a]C[6]C)	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	108.9551	14.230	63	108.9551	14.230	63
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:1:1:	3:3:4:	3:4:1:	C[6a]-3:P-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP)	P(C[6a]C[6a]2)(PC[6a]HO)(H)	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)(PC[6a]HO)(H)	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]OP)	P(C[6a]C[6a]2)2(PC[6a]2O)	P(C[6a]C[6a]2)2(PC[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]OP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2O)	103.5800	2.302	2	103.5800	5.301	2	103.5800	5.301	2	102.8481	0.862	10	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS)	P(C[6a]C[6a]2)2(PC[6a]2S)	P(C[6a]C[6a]2)2(PC[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2S)	102.5955	0.443	6	102.5955	0.196	6	102.5955	0.196	6	102.8481	0.862	10	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeP)	P(C[6a]C[6a]2)2(PC[6a]2Se)	P(C[6a]C[6a]2)2(PC[6a]2)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2Se)	102.8740	0.146	2	102.8740	0.021	2	102.8740	0.021	2	102.8481	0.862	10	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	P(C[6a]C[6a]2)2(PC[6a]2N)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2N)	106.0740	3.841	2	106.0740	14.753	2	103.3561	14.843	8	103.3561	14.843	8	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	P(C[6a]C[6a]2)2(PC[6a]2N)	P(C[6a]C[6a]2)2(PC[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2N)	103.7340	1.753	4	103.7340	3.073	4	103.3561	14.843	8	103.3561	14.843	8	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:2:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP)	P(C[6a]C[6a]2)2(PC[6a]2N)	P(C[6a]C[6a]2)2(PC[6a]2)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2N)	99.8826	6.360	2	99.8826	40.453	2	103.3561	14.843	8	103.3561	14.843	8	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:Cl-1:	P(C[6a]C[6a]2)3(PC[6a]Cl)	C[6a](C[6a]C[6a]H)2(PC[6a]2P)	P(C[6a]C[6a]2)(PC[6a]3)(Cl)	P(C[6a]C[6a]2)3(PC[6a]Cl)	C[6a](C[6a]C[6a]H)2(PC[6a]2P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]3)(Cl)	109.1053	1.863	3	109.1053	3.472	3	109.1053	3.472	3	109.1053	3.472	3	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:P-3:	P(C[6a]C[6a]2)3(PC[6a]P)	C[6a](C[6a]C[6a]H)2(PC[6a]2P)	P(C[6a]C[6a]2)(PC[6a]3)(PC[6a]P)	P(C[6a]C[6a]2)3(PC[6a]P)	C[6a](C[6a]C[6a]H)2(PC[6a]2P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]3)(PC[6a]P)	109.0523	4.350	3	109.0523	18.924	3	109.0523	18.924	3	109.0523	18.924	3	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:P-3:	P(C[6a]C[6a]2)3(PCP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2P)	P(PC[6a]3)(CCHH)(PCP)	P(C[6a]C[6a]2)3(PCP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2P){2|H<1>,3|C<3>}	P(PC[6a]3)(CCHH)(PCP)	111.7275	0.049	2	111.7275	0.002	2	109.4127	10.171	15	109.4127	10.171	15	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:P-3:	P(C[6a]C[6a]2)3(PCP)	C[6a](C[6a]C[6a]H)2(PC[6a]2P)	P(PC[6a]3)(CCHH)(PCP)	P(C[6a]C[6a]2)3(PCP)	C[6a](C[6a]C[6a]H)2(PC[6a]2P){1|C<3>,2|H<1>}	P(PC[6a]3)(CCHH)(PCP)	109.0150	4.301	7	109.0150	18.499	7	109.4127	10.171	15	109.4127	10.171	15	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:3:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:P-3:	P(C[6a]C[6a]2)3(PCP)	C[6a](C[6a]C[6a]H)2(PC[6a]2P)	P(PC[6a]3)(CH3)(PCP)	P(C[6a]C[6a]2)3(PCP)	C[6a](C[6a]C[6a]H)2(PC[6a]2P){1|C<3>,2|H<1>}	P(PC[6a]3)(CH3)(PCP)	109.1052	1.950	6	109.1052	3.801	6	109.4127	10.171	15	109.4127	10.171	15	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]CP)	P(C[6a]C[6a]2)2(PC[6a]2C)	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]CP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2C)	113.1292	2.873	6	113.1292	8.253	6	113.2595	13.339	8	113.2595	13.339	8	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:4:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CP)	P(C[6a]C[6a]2)2(PC[6a]2C)	P(C[6a]C[6a]2)2(PC[6a]2)(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2C)	113.6505	7.191	2	113.6505	51.704	2	113.2595	13.339	8	113.2595	13.339	8	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:4:	3:3:4:	3:4:3:	C[6a]-3:N-3:P-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:N-3:	P(C[6a]C[6a]2)(NC[6a]Al)(PC[6a]N)(CH3)	C[6a](C[6a]C[6a]H)2(PCNP)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Al)	P(C[6a]C[6a]2)(NC[6a]Al)(PC[6a]N)(CH3)	C[6a](C[6a]C[6a]H)2(PCNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Al)	110.1060	0.000	1	110.1060	0.000	1	109.6350	0.444	2	109.6350	0.444	2	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:3:4:	3:3:4:	3:4:3:	C[6a]-3:N-3:P-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:N-3:	P(C[6a]C[6a]2)(NC[6a]Zn)(PC[6a]N)(CCHH)	C[6a](C[6a]C[6a]H)2(PCNP)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)	P(C[6a]C[6a]2)(NC[6a]Zn)(PC[6a]N)(CCHH)	C[6a](C[6a]C[6a]H)2(PCNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)	109.1640	0.000	1	109.1640	0.000	1	109.6350	0.444	2	109.6350	0.444	2	107.9472	21.635	54	107.9472	21.635	54
992	643	945	0:SP3_SP2_SP3	P	C[6a]	P	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C-4:P-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(CHHP)(PCC)	C[6a](C[6a]C[6a]H)2(PC[6a]CP)	P(PC[6a]2C)(CH3)2	P(C[6a]C[6a]2)2(CHHP)(PCC)	C[6a](C[6a]C[6a]H)2(PC[6a]CP){1|C<3>,2|H<1>}	P(PC[6a]2C)(CH3)2	110.5962	2.570	4	110.5962	6.604	4	110.5962	6.604	4	110.5962	6.604	4	107.9472	21.635	54	107.9472	21.635	54
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PH3)	H(PC[6a]HH)	P(C[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PH3){1|H<1>,1|P<3>,3|C<3>}	H(PC[6a]HH)	110.8765	5.585	8	110.8765	31.192	8	110.8765	31.192	8	110.0128	34.007	9	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:1:1:1:	3:3:4:	4:	C[6a]-3:H-1:O-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(H)(O)2	C[6a](C[6a]C[6a]H)2(PHOO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(H)(O)2	C[6a](C[6a]C[6a]H)2(PHOO){1|C<3>,2|H<1>}	H(PC[6a]OO)	103.1030	0.000	1	103.1030	0.000	1	103.1030	0.000	1	110.0128	34.007	9	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OH)(H)(O)	C[6a](C[6a]C[6a]C)2(PHOO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(OH)(H)(O)	C[6a](C[6a]C[6a]C)2(PHOO){1|C<3>,2|H<1>}	H(PC[6a]OO)	104.6120	0.000	1	104.6120	0.000	1	104.4340	0.063	2	100.9667	7.951	6	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OH)(H)(O)	C[6a](C[6a]C[6a]H)2(PHOO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(OH)(H)(O)	C[6a](C[6a]C[6a]H)2(PHOO){1|C<3>,2|H<1>}	H(PC[6a]OO)	104.2560	0.000	1	104.2560	0.000	1	104.4340	0.063	2	100.9667	7.951	6	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:1:1:	3:3:4:	4:	C[6a]-3:P-2:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a])(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP)	H(PC[6a]OP)	P(C[6a]C[6a]2)(PC[6a])(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP){2|H<1>,5|C<3>}	H(PC[6a]OP)	99.2331	1.099	4	99.2331	1.209	4	99.2331	1.209	4	100.9667	7.951	6	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OAl)2(H)	C[6a](C[6a]C[6a]H)2(PHOO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(OAl)2(H)	C[6a](C[6a]C[6a]H)2(PHOO){1|C<3>,2|H<1>}	H(PC[6a]OO)	108.2960	0.000	1	108.2960	0.000	1	105.6700	7.234	3	105.6700	7.234	3	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(ONi)2(H)	C[6a](C[6a]C[6a]C)2(PHOO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(ONi)2(H)	C[6a](C[6a]C[6a]C)2(PHOO){1|C<3>,2|H<1>}	H(PC[6a]OO)	105.7930	0.000	1	105.7930	0.000	1	105.6700	7.234	3	105.6700	7.234	3	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(ONi)2(H)	C[6a](C[6a]C[6a]H)2(PHOO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(ONi)2(H)	C[6a](C[6a]C[6a]H)2(PHOO){1|C<3>,2|H<1>}	H(PC[6a]OO)	102.9210	0.000	1	102.9210	0.000	1	105.6700	7.234	3	105.6700	7.234	3	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:2:4:1:	3:3:4:	4:	C[6a]-3:O-2:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC[6a])(BH3)(H)	C[6a](C[6a]C[6a]H)2(PBHO)	H(PC[6a]BO)	P(C[6a]C[6a]2)(OC[6a])(BH3)(H)	C[6a](C[6a]C[6a]H)2(PBHO){1|C<3>,2|H<1>}	H(PC[6a]BO)	95.5374	0.000	1	95.5374	0.000	1	95.5374	0.000	1	95.5374	0.000	1	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CBC)(H)2	C[6a](C[6a]C[6a]C)2(PCHH)	H(PC[6a]CH)	P(C[6a]C[6a]2)(CBC)(H)2	C[6a](C[6a]C[6a]C)2(PCHH){1|C<3>,2|H<1>}	H(PC[6a]CH)	107.6107	1.990	4	107.6107	3.962	4	109.1998	8.485	6	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(PCHH)	H(PC[6a]CH)	P(C[6a]C[6a]2)(CC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(PCHH){1|C<3>,2|H<1>}	H(PC[6a]CH)	112.3780	0.489	2	112.3780	0.239	2	109.1998	8.485	6	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]HH)	H(PC[6a]2H)	P(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]HH){1|C<3>,2|H<1>}	H(PC[6a]2H)	108.8968	1.180	9	108.8968	1.392	9	108.8968	1.392	9	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]HO)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]HO){1|C<3>,1|C<4>,1|H<1>}	H(PC[6a]2O)	101.8967	2.915	2	101.8967	8.498	2	103.0404	2.453	8	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]C)2(PC[6a]HO)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]C)2(PC[6a]HO){1|C<3>,2|H<1>}	H(PC[6a]2O)	103.3040	0.964	2	103.3040	0.930	2	103.0404	2.453	8	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]HO)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]HO){1|C<3>,2|H<1>}	H(PC[6a]2O)	102.8470	0.000	1	102.8470	0.000	1	103.0404	2.453	8	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]HO)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]HO){1|C<3>,2|C<4>}	H(PC[6a]2O)	102.9330	0.474	2	103.6917	1.839	3	103.0404	2.453	8	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]HO)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]HO){1|C<3>,2|H<1>}	H(PC[6a]2O)	105.2090	0.000	1	103.6917	1.839	3	103.0404	2.453	8	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]HS)	H(PC[6a]2S)	P(C[6a]C[6a]2)2(H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]HS){1|C<3>,2|H<1>}	H(PC[6a]2S)	103.2867	1.470	4	103.2867	2.160	4	103.2867	2.160	4	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:Se-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(Se)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]SeH)	H(PC[6a]2Se)	P(C[6a]C[6a]2)2(Se)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]SeH){1|C<3>,2|H<1>}	H(PC[6a]2Se)	107.1088	0.065	4	107.1088	0.004	4	107.1088	0.004	4	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:1:1:	3:3:4:	4:	C[6a]-3:P-3:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP)	H(PC[6a]OP)	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	C[6a](C[6a]C[6a]2)2(PHOP){2|H<1>,5|C<3>}	H(PC[6a]OP)	101.9300	0.000	1	101.9300	0.000	1	101.9300	0.000	1	106.3470	10.688	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]HO)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(OB)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]HO){1|C<3>,2|H<1>}	H(PC[6a]2O)	105.7835	1.232	2	105.7835	1.519	2	105.7835	1.519	2	105.7835	1.519	2	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CAlC)(CCP)(H)	C[6a](C[6a]C[6a]C)2(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CAlC)(CCP)(H)	C[6a](C[6a]C[6a]C)2(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	104.7840	0.000	1	104.7840	0.000	1	104.7840	0.000	1	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	104.3795	2.982	2	104.3795	8.892	2	103.3058	7.591	4	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	102.2320	3.045	2	102.2320	9.271	2	103.3058	7.591	4	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2H){1|H<1>,3|C<3>}	H(PC[6a]3)	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	H(PC[6a]3)	108.1970	0.000	1	108.1970	0.000	1	108.1970	0.000	1	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(PC[6a]2H){1|H<1>,1|O<2>,3|C<3>}	H(PC[6a]3)	113.2410	0.000	1	113.2410	0.000	1	112.5190	11.493	3	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2H){1|H<1>,1|P<3>,3|C<3>}	H(PC[6a]3)	112.1580	4.712	2	112.1580	22.204	2	112.5190	11.493	3	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	103.4450	4.397	2	103.4450	19.332	2	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	105.7496	9.899	2	105.7496	97.983	2	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	107.0540	3.336	6	107.0540	11.131	6	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	109.5175	0.518	2	109.5175	0.269	2	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(PC[6a]3)	109.6980	0.000	1	108.5948	0.991	4	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	108.2270	0.821	3	108.5948	0.991	4	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)2(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C)2(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	102.3344	3.093	9	102.3344	9.570	9	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(PC[6a]3)	106.8770	0.000	1	106.8770	0.000	1	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	108.9917	3.364	6	108.9917	11.316	6	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	110.6670	0.286	2	110.6670	0.082	2	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2H){1|C<3>,1|C<4>,1|H<1>}	H(PC[6a]3)	110.2930	2.316	2	109.3497	6.462	7	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	108.9724	2.780	5	109.3497	6.462	7	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)2(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	108.9664	5.419	19	108.9664	29.370	19	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]O)2(PC[6a]2H)	H(PC[6a]3)	P(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]O)2(PC[6a]2H){1|C<3>,2|H<1>}	H(PC[6a]3)	105.8950	1.218	2	105.8950	1.483	2	107.4983	20.908	62	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NCP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]HN)	H(PC[6a]2N)	P(C[6a]C[6a]2)2(NCP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]HN){1|C<3>,2|H<1>}	H(PC[6a]2N)	107.0800	2.058	2	107.0800	4.234	2	104.1480	13.826	4	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]HN)	H(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6a]Zn)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]HN){1|C<3>,2|H<1>}	H(PC[6a]2N)	101.2160	1.690	2	101.2160	2.856	2	104.1480	13.826	4	107.2816	20.775	76	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](PC[5a]C[6a]H)(C[6a]C[6a]H)2	H(PC[5a]C[6a]2)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[6a](PC[5a]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	H(PC[5a]C[6a]2)	114.4230	1.779	2	114.4230	3.165	2	114.4230	3.165	2	110.1287	25.806	4	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](PC[6a]C[6]H)(C[6a]C[6a]C)2	H(PC[6a]2C[6])	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6a](PC[6a]C[6]H)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	H(PC[6a]2C[6])	105.8345	0.699	2	105.8345	0.489	2	105.8345	0.489	2	110.1287	25.806	4	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-4:H-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BH3)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]BH)	H(PC[6a]2B)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BH3)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]BH){1|H<1>,1|P<4>,3|C<3>}	H(PC[6a]2B)	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH)	H(PC[6a]2B)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(BH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH){1|C<3>,2|H<1>}	H(PC[6a]2B)	102.3600	0.000	1	102.3600	0.000	1	104.1335	3.167	11	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(BC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH)	H(PC[6a]2B)	P(C[6a]C[6a]2)2(BC[6a]2H)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH){1|C<3>,2|H<1>}	H(PC[6a]2B)	104.2305	1.039	2	104.2305	1.079	2	104.1335	3.167	11	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(BC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH)	H(PC[6a]2B)	P(C[6a]C[6a]2)2(BC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH){1|C<3>,2|H<1>}	H(PC[6a]2B)	103.0900	0.878	4	103.0900	0.770	4	104.1335	3.167	11	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(BHHP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH)	H(PC[6a]2B)	P(C[6a]C[6a]2)2(BHHP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]BH){1|C<3>,2|H<1>}	H(PC[6a]2B)	105.5720	2.040	4	105.5720	4.161	4	104.1335	3.167	11	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CBCH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CBCH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	100.7530	0.759	2	100.7530	0.577	2	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	109.2350	0.000	2	109.2350	0.000	2	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]F)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]F)2(PC[6a]CH){1|C<3>,2|F<1>}	H(PC[6a]2C)	99.7992	0.000	2	99.7992	0.000	2	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	109.9930	0.000	1	109.9930	0.000	1	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	104.5940	0.000	1	104.5940	0.000	1	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(PC[6a]CH){2|H<1>,3|C<3>}	H(PC[6a]2C)	107.5370	0.000	1	107.5370	0.000	1	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	104.6525	2.385	4	104.6525	5.690	4	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	104.9190	0.000	1	104.9190	0.000	1	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	106.7115	4.412	2	106.7115	19.463	2	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[3]HH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[3]HH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	105.9045	1.484	2	105.9045	2.203	2	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]CH)	H(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6a]3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]CH){1|C<3>,2|H<1>}	H(PC[6a]2C)	106.4160	2.895	2	106.4160	8.380	2	105.1646	11.406	20	104.9332	8.835	32	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](PC[6a]C[5]H)(C[6a]C[6a]C)2	H(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2H)(H)	C[6a](PC[6a]C[5]H)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	H(PC[6a]2C[5])	104.9660	0.471	2	104.9660	0.222	2	104.9660	0.222	2	106.5625	4.453	4	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](PC[6a]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(PC[6a]2C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](PC[6a]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(PC[6a]2C[6])	106.9460	0.000	1	106.9460	0.000	1	108.1590	2.943	2	106.5625	4.453	4	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-4:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](PC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	H(PC[6a]2C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2H)(H)	C[6a](PC[6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,2|H<1>}	H(PC[6a]2C[6])	109.3720	0.000	1	109.3720	0.000	1	108.1590	2.943	2	106.5625	4.453	4	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(PBHH)	H(PC[6a]BH)	P(C[6a]C[6a]2)(BC[6a]3)(H)2	C[6a](C[6a]C[6a]H)2(PBHH){1|C<3>,2|H<1>}	H(PC[6a]BH)	106.5150	2.590	4	106.5150	6.708	4	106.5150	6.708	4	106.5079	14.127	15	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCHH)	H(PC[6a]CH)	P(C[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCHH){1|C<3>,2|H<1>}	H(PC[6a]CH)	110.1667	0.859	4	110.1667	0.737	4	110.1667	0.737	4	106.5079	14.127	15	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)(H)(O)	C[6a](C[6a]C[6a]H)2(PCHO)	H(PC[6a]CO)	P(C[6a]C[6a]2)(CCHH)(H)(O)	C[6a](C[6a]C[6a]H)2(PCHO){1|C<3>,2|H<1>}	H(PC[6a]CO)	108.1525	0.006	2	108.1525	0.000	2	107.7683	0.443	3	106.5079	14.127	15	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	C[6a](C[6a]C[6a]H)2(PCHO)	H(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	C[6a](C[6a]C[6a]H)2(PCHO){1|C<3>,2|H<1>}	H(PC[6a]CO)	107.0000	0.000	1	107.0000	0.000	1	107.7683	0.443	3	106.5079	14.127	15	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	C[6a](C[6a]C[6a]C)2(PC[6]HO)	H(PC[6a]C[6]O)	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	C[6a](C[6a]C[6a]C)2(PC[6]HO){1|C<3>,2|H<1>}	H(PC[6a]C[6]O)	99.8478	3.639	2	99.8478	13.243	2	101.8966	10.394	4	106.5079	14.127	15	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:1:1:	3:3:4:	4:	C[6a]-3:C[6]-4:H-1:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	C[6a](C[6a]C[6a]H)2(PC[6]HO)	H(PC[6a]C[6]O)	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	C[6a](C[6a]C[6a]H)2(PC[6]HO){1|C<3>,2|H<1>}	H(PC[6a]C[6]O)	103.9455	1.071	2	103.9455	1.148	2	101.8966	10.394	4	106.5079	14.127	15	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:B-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(BC[6a]3)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(PSiBH)	H(PC[6a]SiB)	P(C[6a]C[6a]2)(BC[6a]3)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(PSiBH){1|C<3>,2|H<1>}	H(PC[6a]SiB)	95.1341	0.000	1	95.1341	0.000	1	95.1341	0.000	1	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)(BH3)(H)	C[6a](C[6a]C[6a]C)2(PBCH)	H(PC[6a]BC)	P(C[6a]C[6a]2)(CCHH)(BH3)(H)	C[6a](C[6a]C[6a]C)2(PBCH){1|C<3>,2|H<1>}	H(PC[6a]BC)	102.8860	0.096	2	102.8860	0.009	2	100.3067	22.172	6	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	C[6a](C[6a]C[6a]H)2(PBCH)	H(PC[6a]BC)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	C[6a](C[6a]C[6a]H)2(PBCH){1|C<3>,2|H<1>}	H(PC[6a]BC)	94.7396	3.989	2	94.7396	15.913	2	100.3067	22.172	6	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:B-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CHHP)(BH3)(H)	C[6a](C[6a]C[6a]C)2(PBCH)	H(PC[6a]BC)	P(C[6a]C[6a]2)(CHHP)(BH3)(H)	C[6a](C[6a]C[6a]C)2(PBCH){1|C<3>,2|H<1>}	H(PC[6a]BC)	103.2945	1.340	2	103.2945	1.796	2	100.3067	22.172	6	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6,6a]C[6a])(CCCH)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6,6a]C[6a])(CCCH)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCCH){1|C<4>,1|H<1>,2|C<3>}	H(PC[6a]CC)	106.9045	3.382	2	106.9045	11.439	2	106.9045	11.439	2	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CC3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCCH){2|H<1>,3|C<3>}	H(PC[6a]CC)	103.2000	0.000	1	103.2000	0.000	1	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CC3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	106.6155	0.054	2	106.6155	0.003	2	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC3)2(H)	C[6a](C[6a]C[6a]H)2(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CC3)2(H)	C[6a](C[6a]C[6a]H)2(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	105.1800	0.000	1	105.1800	0.000	1	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	108.5310	0.000	1	108.5310	0.000	1	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PCCH){1|C<3>,1|C<4>,1|H<1>}	H(PC[6a]CC)	101.4620	0.000	1	101.4620	0.000	1	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CCCH)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	108.9820	0.190	2	108.9820	0.036	2	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]C)2(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a]C[6a]C)2(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	101.7370	0.000	1	101.7370	0.000	1	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	109.1145	1.692	2	109.1145	2.863	2	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PCCH)	H(PC[6a]CC)	P(C[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PCCH){1|C<3>,2|H<1>}	H(PC[6a]CC)	107.3490	0.000	1	107.3490	0.000	1	106.4069	8.578	12	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:B-4:H-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(BH3)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[5]BH)	H(PC[6a]C[5]B)	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(BH3)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[5]BH){1|H<1>,1|P<4>,3|C<3>}	H(PC[6a]C[5]B)	104.8160	0.000	1	104.8160	0.000	1	104.8160	0.000	1	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[5]C[5]2H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[5]2H)	H(PC[6a]C[5]2)	P(C[6a]C[6a]2)(C[5]C[5]2H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[5]2H){1|C<3>,1|C<4>,1|H<1>}	H(PC[6a]C[5]2)	106.4580	0.000	1	106.4580	0.000	1	106.4580	0.000	1	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2H)	H(PC[6a]C[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2H){2|H<1>,3|C<3>}	H(PC[6a]C[6]2)	108.2960	0.000	1	108.2960	0.000	1	103.0525	13.130	4	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6]2H)	H(PC[6a]C[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6]2H){1|C<3>,1|C<4>,1|H<1>}	H(PC[6a]C[6]2)	100.6315	0.114	2	101.3047	1.366	3	103.0525	13.130	4	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6]2H)	H(PC[6a]C[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6]2H){1|C<3>,2|H<1>}	H(PC[6a]C[6]2)	102.6510	0.000	1	101.3047	1.366	3	103.0525	13.130	4	104.1167	19.724	27	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	4:3:1:1:	3:3:4:	4:	B[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PB[5]HH)	H(PC[6a]B[5]H)	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PB[5]HH){1|C<3>,2|H<1>}	H(PC[6a]B[5]H)	103.4415	0.448	2	103.4415	0.200	2	103.4415	0.200	2	103.4415	0.200	2	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	C[6a](PC[6a]C[3]H)(C[6a]C[6a]C)2	H(PC[6a]2C[3])	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	C[6a](PC[6a]C[3]H)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	H(PC[6a]2C[3])	102.6150	3.615	2	102.6150	13.066	2	102.6150	13.066	2	102.7245	4.619	4	106.1185	18.984	217	106.1185	18.984	217
992	643	951	0:SP3_SP-NON_SP2	P	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6a]-3:H-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](PC[5,6]C[6a]H)(C[6a]C[6a]C)2	H(PC[5,6]C[6a]2)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2(H)	C[6a](PC[5,6]C[6a]H)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	H(PC[5,6]C[6a]2)	102.8340	0.863	2	102.8340	0.744	2	102.8340	0.744	2	102.7245	4.619	4	106.1185	18.984	217	106.1185	18.984	217
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:2:3:1:	3:3:4:	4:4:1:	C[6a]-3:O-2:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	C[6a](C[6a]C[6a]H)2(PNOO)	N(PC[6a]OO)(CC3)(H)	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	C[6a](C[6a]C[6a]H)2(PNOO){1|C<3>,2|H<1>}	N(PC[6a]OO)(CC3)(H)	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:O-2:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(NC[6a]H)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(PNOO)	N(C[6a]C[6a]2)(PC[6a]OO)(H)	P(C[6a]C[6a]2)(NC[6a]H)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(PNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]OO)(H)	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:Se-2:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(SeAg)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeAg)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2(H)	104.7847	2.247	12	104.7847	5.049	12	104.7847	5.049	12	104.7847	5.049	12	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:Se-2:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(SePd)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	P(C[6a]C[6a]2)2(SePd)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	111.3220	0.051	2	111.3220	0.003	2	111.6502	0.770	4	111.6502	0.770	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:2:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:Se-2:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(SePt)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	P(C[6a]C[6a]2)2(SePt)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	111.9785	1.370	2	111.9785	1.876	2	111.6502	0.770	4	111.6502	0.770	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:3:4:	C[6a]-3:N-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)(NC[6a]2)2(Se)	C[6a](C[6a]C[6a]H)2(PSeNN)	N(C[6a]C[6a]2)2(PC[6a]SeN)	P(C[6a]C[6a]2)(NC[6a]2)2(Se)	C[6a](C[6a]C[6a]H)2(PSeNN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)2(PC[6a]SeN)	103.6220	3.101	2	103.6220	9.618	2	103.6220	9.618	2	103.6220	9.618	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6]C[6]2)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(PC[6a]2O)(H)	104.5030	4.482	2	104.5030	20.085	2	103.7046	15.173	6	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2O)(H)	103.3054	4.237	4	103.3054	17.955	4	103.7046	15.173	6	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]NO)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]NO){1|H<1>,1|O<2>,3|C<3>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	104.8387	2.873	3	104.8387	8.252	3	104.9860	7.298	22	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	106.4980	0.000	1	105.2007	7.488	15	104.9860	7.298	22	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	105.1080	2.815	14	105.2007	7.488	15	104.9860	7.298	22	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2O)(H)	104.2913	3.122	4	104.2913	9.747	4	104.9860	7.298	22	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6]C[6]N[6])(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2S)(H)	102.3190	2.257	2	102.3190	5.094	2	102.3190	5.094	2	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2S)(H)	102.6525	3.194	2	102.6525	10.202	2	104.2900	9.221	10	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)(H)	106.0397	2.678	4	106.0397	7.170	4	104.2900	9.221	10	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2S)(H)	103.3590	3.173	4	103.3590	10.066	4	104.2900	9.221	10	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(C[6a]C[6a,6a]C[6a])(PC[6a]2Se)(H)	102.9970	3.029	2	102.9970	9.176	2	103.7030	10.197	12	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Se)(H)	104.0905	3.814	6	104.0905	14.550	6	103.7030	10.197	12	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)	103.4748	3.062	4	103.4748	9.379	4	103.7030	10.197	12	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(NC[6a]H)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	P(C[6a]C[6a]2)(NC[6a]H)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]NO)(H)	108.4870	0.239	2	108.4870	0.057	2	107.7713	5.034	8	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(NC[6a]H)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(C[6a]C[6a]2)(PC[6a]NO)(H)	P(C[6a]C[6a]2)(NC[6a]H)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]NO)(H)	106.6560	2.761	4	106.6560	7.621	4	107.7713	5.034	8	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(NC[6a]H)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	P(C[6a]C[6a]2)(NC[6a]H)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]N[6a])(PC[6a]NO)(H)	109.2860	1.317	2	109.2860	1.734	2	107.7713	5.034	8	104.7677	9.703	60	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:C-4:	P(C[6a]C[6a]2)2(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	P(C[6a]C[6a]2)2(NC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,1|H<1>,1|O<2>}	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	103.2250	1.177	2	103.2250	1.384	2	103.2250	1.384	2	104.9579	4.842	10	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:P-4:	P(C[6a]C[6a]2)2(NC[6a]P)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a]2)(PC[6a]2S)2	P(C[6a]C[6a]2)2(NC[6a]P)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)2	105.2835	2.089	4	105.2835	4.364	4	105.2835	4.364	4	104.9579	4.842	10	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:P-4:	P(C[6a]C[6a]2)2(NC[6a]P)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(C[6a]C[6a]2)(PC[6a]2Se)2	P(C[6a]C[6a]2)2(NC[6a]P)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Se)2	105.4988	2.677	4	105.4988	7.167	4	105.4988	7.167	4	104.9579	4.842	10	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CC[6a]O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CC[6a]O)(H)	102.8284	4.624	2	102.8284	21.381	2	102.8284	21.381	2	106.1996	44.786	3	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:N-3:H-1:	P(C[6a]C[6a]2)(NHN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(PC[6a]NO)(NCH)(H)	P(C[6a]C[6a]2)(NHN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(PC[6a]NO)(NCH)(H)	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	106.1996	44.786	3	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:C-4:	P(C[6a]C[6a]2)2(NCP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]HN)	N(PC[6a]2H)(PC[6a]2)(CCCH)	P(C[6a]C[6a]2)2(NCP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]HN){1|C<3>,2|H<1>}	N(PC[6a]2H)(PC[6a]2)(CCCH)	112.7020	1.406	2	112.7020	1.976	2	112.7020	1.976	2	112.7020	1.976	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NO)	N(CC[6a]HH)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]2O)(H)	106.4350	0.000	1	106.4350	0.000	1	105.3781	5.630	10	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CC)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CC)(PC[6a]2O)(H)	104.6210	5.392	2	104.6210	29.078	2	105.3781	5.630	10	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CH)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	104.6063	1.842	4	104.6063	3.393	4	105.3781	5.630	10	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]HH)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]2O)(H)	105.7030	0.000	1	105.7030	0.000	1	105.3781	5.630	10	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]SiH)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]SiH)(PC[6a]2O)(H)	106.9880	1.216	2	106.9880	1.479	2	105.3781	5.630	10	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[5]-4:P-4:H-1:	P(C[6a]C[6a]2)2(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	106.7428	0.809	4	106.7428	0.654	4	106.7428	0.654	4	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)(H)	107.1675	1.855	2	107.1675	3.440	2	107.1675	3.440	2	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[5]-4:P-4:H-1:	P(C[6a]C[6a]2)2(NC[5]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[5]C[5,6a]C[5]H)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[5]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(PC[6a]2S)(H)	105.2167	3.358	6	105.2167	11.275	6	105.2167	11.275	6	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(PC[6a]2S)(H)	105.7675	3.156	2	105.7675	9.959	2	105.7675	9.959	2	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PCCS)(H)	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PCCS)(H)	103.6235	4.091	2	103.6235	16.733	2	103.1938	15.308	4	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(POOS)(H)	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(POOS)(H)	102.7642	5.334	2	102.7642	28.453	2	103.1938	15.308	4	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(CCHH)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CCHH)(H)	103.0263	1.376	4	103.0263	1.894	4	103.8875	5.969	8	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(CC[6a]2H)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CC[6a]2H)(H)	106.2670	2.693	2	106.2670	7.250	2	103.8875	5.969	8	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(CC[6a]3)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CC[6a]3)(H)	103.2305	3.700	2	103.2305	13.692	2	103.8875	5.969	8	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2(H)	104.4323	2.782	4	104.4323	7.741	4	104.4323	7.741	4	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)(NCH)(NCP)(S)	C[6a](C[6a]C[6a]H)2(PNNS)	N(PC[6a]NS)(CCCH)(H)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	C[6a](C[6a]C[6a]H)2(PNNS){1|C<3>,2|H<1>}	N(PC[6a]NS)(CCCH)(H)	107.7770	0.000	1	107.7770	0.000	1	107.7770	0.000	1	105.0562	7.240	41	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:N-2:	P(C[6a]C[6a]2)(NCN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(PC[6a]NO)(CH3)(NC)	P(C[6a]C[6a]2)(NCN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(PC[6a]NO)(CH3)(NC)	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:C-3:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CH)(PC[6a]2O)(COO)	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(COO)	109.1310	2.140	2	109.1310	4.578	2	109.1310	4.578	2	109.1310	4.578	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:C-4:P-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CH)2(PC[6a]2O)	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PC[6a]2O)	108.8300	2.570	2	108.8300	6.603	2	108.8300	6.603	2	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	107.0350	1.595	2	107.0350	2.545	2	107.3450	4.188	8	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	109.1150	0.000	2	109.1150	0.000	2	107.3450	4.188	8	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	106.6150	2.462	4	106.6150	6.060	4	107.3450	4.188	8	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:C-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(CC[6a]CH)(PC[6a]2S)(CH3)	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2S)(CH3)	105.6120	4.521	2	105.6120	20.442	2	105.6120	20.442	2	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CCCH)2	108.8910	0.000	1	108.8910	0.000	1	107.2565	5.343	2	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NS)	N(PC[6a]2S)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CCCH)2	105.6220	0.000	1	105.6220	0.000	1	107.2565	5.343	2	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(NCP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PC[6a]NS)(CCCH)	P(C[6a]C[6a]2)2(NCP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PC[6a]NS)(CCCH)	107.6470	1.605	2	107.6470	2.576	2	107.6470	2.576	2	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)(NCH)(NCP)(S)	C[6a](C[6a]C[6a]H)2(PNNS)	N(PC[6a]2S)(PC[6a]NS)(CCCH)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	C[6a](C[6a]C[6a]H)2(PNNS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PC[6a]NS)(CCCH)	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	107.1650	5.206	17	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(OCo)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6]H)(OCo)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2O)(H)	107.3105	3.030	2	107.3105	9.181	2	107.3105	9.181	2	107.1135	11.384	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a]2)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2S)(H)	106.9165	4.982	2	106.9165	24.816	2	106.9165	24.816	2	107.1135	11.384	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:P-4:	P(C[6a]C[6a]2)2(NC[6a]P)(SNi)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a]2)(PC[6a]2Ni)(PC[6a]2S)	P(C[6a]C[6a]2)2(NC[6a]P)(SNi)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Ni)(PC[6a]2S)	109.0035	1.242	4	109.0035	1.542	4	108.6692	2.011	6	108.6692	2.011	6	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:P-4:	P(C[6a]C[6a]2)2(NC[6a]P)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6a]C[6a]2)(PC[6a]2Pd)(PC[6a]2S)	P(C[6a]C[6a]2)2(NC[6a]P)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2Pd)(PC[6a]2S)	108.0005	2.022	2	108.0005	4.087	2	108.6692	2.011	6	108.6692	2.011	6	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(OZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO)	N(PC[6a]2O)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)(OZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)(H)	104.5420	0.000	1	104.5420	0.000	1	105.1550	0.752	2	105.1550	0.752	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(OZn)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)(OZn)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)(H)	105.7680	0.000	1	105.7680	0.000	1	105.1550	0.752	2	105.1550	0.752	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	105.1580	0.000	1	105.1580	0.000	1	107.7350	13.282	2	109.3835	4.557	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(ONi)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(ONi)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	110.3120	0.000	1	110.3120	0.000	1	107.7350	13.282	2	109.3835	4.557	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:P-4:	P(C[6a]C[6a]2)2(NCP)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	P(C[6a]C[6a]2)2(NCP)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	110.7035	1.513	2	110.7035	2.288	2	110.4790	0.843	4	109.3835	4.557	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:P-4:	P(C[6a]C[6a]2)2(NCP)(SPt)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	P(C[6a]C[6a]2)2(NCP)(SPt)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	110.2545	0.196	2	110.2545	0.038	2	110.4790	0.843	4	109.3835	4.557	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(NCP)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]N[5a]Pd)(PC[6a]2S)(CCCH)	P(C[6a]C[6a]2)2(NCP)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]N[5a]Pd)(PC[6a]2S)(CCCH)	108.8410	2.295	2	108.8410	5.268	2	108.8410	5.268	2	109.3835	4.557	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(PC[6a]3)(H)	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	109.7426	6.602	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)(H)	108.6360	1.926	2	108.6360	3.710	2	109.2134	8.033	5	109.7426	6.602	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)(H)	P(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)(H)	109.5983	3.695	3	109.5983	13.654	3	109.2134	8.033	5	109.7426	6.602	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(CCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(CCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	109.8970	2.679	2	109.8970	7.174	2	109.8970	7.174	2	109.7426	6.602	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	P(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]3)(COO)	109.7527	3.995	3	109.7527	15.963	3	109.7527	15.963	3	109.7527	15.963	3	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	B[6,6]-3:P-4:C-4:	P(C[6a]C[6a]2)3(NB[6,6]C)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	P(C[6a]C[6a]2)3(NB[6,6]C)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	109.8097	1.494	3	109.8097	2.233	3	109.8097	2.233	3	108.0214	8.858	7	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:C-4:	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	106.6803	3.261	4	106.6803	10.632	4	106.6803	10.632	4	108.0214	8.858	7	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:H-1:	P(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(H)2	P(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(H)2	109.9463	3.103	3	109.9463	9.631	3	109.9463	9.631	3	109.9463	9.631	3	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:H-1:	P(C[6a]C[6a]2)2(CTeP)(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)(H)	P(C[6a]C[6a]2)2(CTeP)(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)(H)	109.5250	0.769	2	109.5250	0.592	2	109.5250	0.592	2	109.2386	8.546	40	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:P-4:H-1:	P(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(C[6]C[6]2H)(PC[6a]3)(H)	P(C[6a]C[6a]2)3(NC[6]H)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(PC[6a]3)(H)	110.1693	0.773	3	110.1693	0.598	3	110.1693	0.598	3	109.2386	8.546	40	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CC3)(H)	P(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC3)(H)	110.8220	3.152	3	110.8220	9.933	3	110.8220	9.933	3	109.2386	8.546	40	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(PC[6a]2N)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(PC[6a]2N)(CCCH)(H)	108.9850	3.107	32	108.9850	9.655	32	108.9850	9.655	32	109.2386	8.546	40	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[5]-3:N-3:	P-4:C[6a]-3:C[6a]-3:	P-4:C[6a]-3:H-1:	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a]H)	C[6a](PC[6a]C[5]N)(C[6a]C[6a]H)2	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a]H)	C[6a](PC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	110.3575	5.512	2	110.3575	30.381	2	110.3575	30.381	2	110.3575	30.381	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-4:	C[5a,6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	111.3340	0.557	2	111.3340	0.310	2	111.3340	0.310	2	110.2141	6.496	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	108.4295	2.628	2	108.4295	6.908	2	109.8408	8.364	6	110.2141	6.496	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	109.5060	4.562	2	109.5060	20.814	2	109.8408	8.364	6	110.2141	6.496	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	111.5870	1.947	2	111.5870	3.792	2	109.8408	8.364	6	110.2141	6.496	8	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:H-1:	P(C[6a]C[6a]2)2(BHHP)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(BHHP)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(PC[6a]2)(H)	108.2760	1.069	2	108.2760	1.143	2	108.2760	1.143	2	108.2760	1.143	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(CC[6a]CH)(PC[6a]2B)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2B)(H)	107.0970	3.486	2	107.0970	12.152	2	107.0970	12.152	2	108.6130	9.810	6	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2B)(CCHH)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCHH)(H)	106.8985	0.996	2	106.8985	0.993	2	106.8985	0.993	2	108.6130	9.810	6	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:H-1:	P(C[6a]C[6a]2)2(CHHP)(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)(H)	P(C[6a]C[6a]2)2(CHHP)(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)(H)	111.8435	2.135	2	111.8435	4.557	2	111.8435	4.557	2	108.6130	9.810	6	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]BN)	N(PC[6a]2B)(CCCH)(CH3)	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]BN){2|H<1>,3|C<3>}	N(PC[6a]2B)(CCCH)(CH3)	105.2740	0.000	1	105.2740	0.000	1	107.1893	2.376	4	107.1893	2.376	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]BN)	N(PC[6a]2B)(CCCH)(CH3)	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCCH)(CH3)	107.3970	0.000	1	107.3970	0.000	1	107.1893	2.376	4	107.1893	2.376	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2B)(CCCH)(CH3)	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCCH)(CH3)	108.0430	1.400	2	108.0430	1.960	2	107.1893	2.376	4	107.1893	2.376	4	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:3:4:4:	3:3:4:	3:4:1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(PCCN)	N(C[6a]C[6a]2)(PC[6a]CC)(H)	P(C[6a]C[6a]2)(NC[6a]H)(CH3)2	C[6a](C[6a]C[6a]H)2(PCCN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]CC)(H)	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	111.5350	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)(CC3)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PCNO)	N(CC[6a]CH)(PC[6a]CO)(H)	P(C[6a]C[6a]2)(CC3)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PCNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]CO)(H)	105.8910	0.000	1	105.8910	0.000	1	105.8910	0.000	1	104.1710	5.917	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:S-4:H-1:	P(C[6a]C[6a]2)(CC3)(NHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCNO)	N(PC[6a]CO)(SC[6a]OO)(H)	P(C[6a]C[6a]2)(CC3)(NHS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCNO){1|C<3>,2|H<1>}	N(PC[6a]CO)(SC[6a]OO)(H)	102.4510	0.000	1	102.4510	0.000	1	102.4510	0.000	1	104.1710	5.917	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:4:3:2:	3:3:4:	4:4:1:	C[6a]-3:B-4:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)(BH3)(NCH)(OC)	C[6a](C[6a]C[6a]H)2(PBNO)	N(PC[6a]BO)(CH3)(H)	P(C[6a]C[6a]2)(BH3)(NCH)(OC)	C[6a](C[6a]C[6a]H)2(PBNO){1|C<3>,2|H<1>}	N(PC[6a]BO)(CH3)(H)	105.7040	0.000	1	105.7040	0.000	1	105.7040	0.000	1	105.7040	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:4:3:4:	3:3:4:	4:4:3:	C[6a]-3:Ga-4:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:N-3:	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	C[6a](C[6a]C[6a]H)2(PGaCN)	N(PC[6a]GaC)(SiC3)(NSi2)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	C[6a](C[6a]C[6a]H)2(PGaCN){1|C<3>,2|H<1>}	N(PC[6a]GaC)(SiC3)(NSi2)	112.9020	0.143	2	112.9020	0.020	2	112.9020	0.020	2	112.9020	0.020	2	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	3:4:4:3:	3:3:4:	4:4:4:	C[6a]-3:B-4:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)(BH3)(CC3)(NCC)	C[6a](C[6a]C[6a]H)2(PBCN)	N(PC[6a]BC)(CH3)2	P(C[6a]C[6a]2)(BH3)(CC3)(NCC)	C[6a](C[6a]C[6a]H)2(PBCN){1|C<3>,2|H<1>}	N(PC[6a]BC)(CH3)2	103.9180	0.000	1	103.9180	0.000	1	103.9180	0.000	1	103.9180	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP2	P	C[6a]	N	4:3:4:3:	3:3:4:	4:4:4:	C[5]-4:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[5]BN)	N(PC[6a]C[5]B)(CCCH)(CH3)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[5]BN){1|C<3>,2|H<1>}	N(PC[6a]C[5]B)(CCCH)(CH3)	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	106.9642	12.223	267	106.9642	12.223	267
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:2:3:1:	3:3:4:	4:4:1:	C[6a]-3:O-2:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)(OC[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)2(PNOS)	N(CC[6a]CH)(PC[6a]OS)(H)	P(C[6a]C[6a]2)(OC[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)2(PNOS){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]OS)(H)	103.9110	0.000	1	103.9110	0.000	1	103.9110	0.000	1	103.9110	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:1:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:O-1:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)(NCH)(O)2	C[6a](C[6a]C[6a]H)2(PNOO)	N(CC[6a]CH)(PC[6a]OO)(H)	P(C[6a]C[6a]2)(NCH)(O)2	C[6a](C[6a]C[6a]H)2(PNOO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]OO)(H)	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:O-2:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:P-4:H-1:	P(C[6a]C[6a]2)(NC[6]H)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(PNOO)	N(C[6]C[6]2H)(PC[6a]OO)(H)	P(C[6a]C[6a]2)(NC[6]H)(OC[6])(O)	C[6a](C[6a]C[6a]H)2(PNOO){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(PC[6a]OO)(H)	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:2:1:	3:3:4:	4:4:4:	C[6a]-3:N-3:O-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)(NCC)(OP)(O)	C[6a](C[6a]C[6a]H)2(PNOO)	N(PC[6a]OO)(CCCH)2	P(C[6a]C[6a]2)(NCC)(OP)(O)	C[6a](C[6a]C[6a]H)2(PNOO){1|C<3>,2|H<1>}	N(PC[6a]OO)(CCCH)2	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	104.5950	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:2:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-2:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:H-1:	P(C[6a]C[6a]2)2(CC[6a])(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)(H)	P(C[6a]C[6a]2)2(CC[6a])(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)(H)	110.2855	2.063	2	110.2855	4.254	2	110.2855	4.254	2	106.3695	6.379	13	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:2:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:Se-2:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(SeAg)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(SeAg)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2(H)	105.6575	1.899	11	105.6575	3.605	11	105.6575	3.605	11	106.3695	6.379	13	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6a]C[6a]2)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2O)(H)	103.7198	1.673	16	103.7198	2.799	16	103.7198	2.799	16	103.7198	2.799	16	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:2:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:O-2:H-1:	P(C[6a]C[6a]2)2(NHO)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(OH)(H)	P(C[6a]C[6a]2)2(NHO)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(OH)(H)	102.2030	2.000	2	102.2030	3.999	2	102.2030	3.999	2	102.2030	3.999	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:N-3:H-1:	P(C[6a]C[6a]2)2(NHN)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(NCH)(H)	P(C[6a]C[6a]2)2(NHN)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(NCH)(H)	103.2685	1.438	2	103.2685	2.067	2	102.9998	0.785	4	102.8482	0.704	5	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:N-3:H-1:	P(C[6a]C[6a]2)2(NHN)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(NHP)(H)	P(C[6a]C[6a]2)2(NHN)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(NHP)(H)	102.7310	0.006	2	102.7310	0.000	2	102.9998	0.785	4	102.8482	0.704	5	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:N-3:H-1:	P(C[6a]C[6a]2)(NHN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(PC[6a]NO)(NCH)(H)	P(C[6a]C[6a]2)(NHN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(PC[6a]NO)(NCH)(H)	102.2420	0.000	1	102.2420	0.000	1	102.2420	0.000	1	102.8482	0.704	5	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[5a]CH)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[5a]CH)(PC[6a]2O)(H)	104.2115	2.254	2	104.2115	5.078	2	106.5768	14.740	14	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CC)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CC)(PC[6a]2O)(H)	104.9565	5.906	2	104.9565	34.886	2	106.5768	14.740	14	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CH)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2O)(H)	107.3739	3.784	10	107.3739	14.318	10	106.5768	14.740	14	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C[5]-4:P-4:H-1:	P(C[6a]C[6a]2)2(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[5]H)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	105.6729	3.547	8	105.6729	12.584	8	105.6729	12.584	8	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]NO)	N(PC[6a]2O)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)(H)	104.1360	0.000	1	104.1360	0.000	1	103.7997	2.306	4	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)(H)	103.6877	1.839	3	103.6877	3.384	3	103.7997	2.306	4	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[5]-4:P-4:H-1:	P(C[6a]C[6a]2)2(NC[5]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[5]C[5,6a]C[5]H)(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[5]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(PC[6a]2S)(H)	103.5780	2.372	6	103.5780	5.628	6	103.5780	5.628	6	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(PCCS)(H)	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(PCCS)(H)	106.0515	0.107	2	106.0515	0.011	2	106.0515	0.011	2	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(CC[6a]CH)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(CC[6a]CH)(H)	104.9162	1.246	4	104.9162	1.552	4	104.9162	1.552	4	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(PCCS)(H)	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(PCCS)(H)	104.5550	3.677	2	104.5550	13.520	2	104.3812	5.712	6	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)(PO3)(H)	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)(PO3)(H)	103.6530	0.461	2	103.6530	0.213	2	104.3812	5.712	6	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:Se-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:H-1:	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN)	N(PC[6a]2Se)2(H)	P(C[6a]C[6a]2)2(NHP)(Se)	C[6a](C[6a]C[6a]H)2(PC[6a]SeN){1|C<3>,2|H<1>}	N(PC[6a]2Se)2(H)	104.9355	3.618	2	104.9355	13.092	2	104.3812	5.712	6	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)(NC[6a]H)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(CC[6a]HH)(PC[6a]NO)(H)	P(C[6a]C[6a]2)(NC[6a]H)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]NO)(H)	103.9495	0.633	2	103.9495	0.401	2	103.9495	0.401	2	105.2191	9.094	46	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:N-2:	P(C[6a]C[6a]2)(NCN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(PC[6a]NO)(CH3)(NC)	P(C[6a]C[6a]2)(NCN)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(PC[6a]NO)(CH3)(NC)	106.3070	0.000	1	106.3070	0.000	1	106.3070	0.000	1	106.7240	0.221	3	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:2:	C[6a]-3:N-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:S-2:	P(C[6a]C[6a]2)(NCS)2(O)	C[6a](C[6a]C[6a]H)2(PNNO)	N(PC[6a]NO)(CC3)(SS)	P(C[6a]C[6a]2)(NCS)2(O)	C[6a](C[6a]C[6a]H)2(PNNO){1|C<3>,2|H<1>}	N(PC[6a]NO)(CC3)(SS)	106.9325	0.425	2	106.9325	0.181	2	106.9325	0.181	2	106.7240	0.221	3	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:3:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:N-3:	P(C[6a]C[6a]2)2(NNP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)2(NHH)	P(C[6a]C[6a]2)2(NNP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)2(NHH)	106.9117	1.972	4	106.9117	3.889	4	106.9117	3.889	4	106.9117	3.889	4	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:C-4:P-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NO)	N(CC[6a]HH)2(PC[6a]2O)	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PC[6a]2O)	105.7840	0.000	1	105.7840	0.000	1	107.2330	3.092	4	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:C-4:P-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]CH)2(PC[6a]2O)	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]CH)2(PC[6a]2O)	108.4190	1.874	2	108.4190	3.511	2	107.2330	3.092	4	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:C-4:P-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(CC[6a]HH)2(PC[6a]2O)	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(CC[6a]HH)2(PC[6a]2O)	106.3100	0.000	1	106.3100	0.000	1	107.2330	3.092	4	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	107.6790	0.000	1	107.6790	0.000	1	106.1387	11.482	10	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	104.8780	4.733	2	104.8780	22.405	2	106.1387	11.482	10	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	107.1100	3.955	5	107.1100	15.643	5	106.1387	11.482	10	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCHH)2	P(C[6a]C[6a]2)2(NCC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCHH)2	104.2010	0.762	2	104.2010	0.581	2	106.1387	11.482	10	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(NCP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)2(CCCH)	P(C[6a]C[6a]2)2(NCP)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)2(CCCH)	107.2253	1.515	4	107.2253	2.295	4	107.2253	2.295	4	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NS)	N(PC[6a]2S)(CCHH)2	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CCHH)2	102.8855	0.425	2	102.8855	0.181	2	103.6355	0.823	4	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:1:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(CCHH)2	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CCHH)2	104.3855	0.194	2	104.3855	0.038	2	103.6355	0.823	4	106.0801	7.451	22	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(OCo)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(NC[6]H)(OCo)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2O)(H)	107.3540	4.400	2	107.3540	19.357	2	107.3540	19.357	2	105.7378	13.306	4	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	C[6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(SFe)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(C[6]C[6]N[6])(PC[6a]2S)(H)	P(C[6a]C[6a]2)2(NC[6]H)(SFe)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2S)(H)	104.1215	3.180	2	104.1215	10.112	2	104.1215	10.112	2	105.7378	13.306	4	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:H-1:	P(C[6a]C[6a]2)2(NHH)(OLi)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(H)2	P(C[6a]C[6a]2)2(NHH)(OLi)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(H)2	104.1602	1.383	4	104.1602	1.913	4	104.1602	1.913	4	104.1602	1.913	4	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:C-4:	P(C[6a]C[6a]2)2(NCP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(PC[6a]2N)(PC[6a]2)(CCHH)	P(C[6a]C[6a]2)2(NCP)(NSi)	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(PC[6a]2N)(PC[6a]2)(CCHH)	105.5485	1.281	2	105.5485	1.640	2	105.5485	1.640	2	105.5485	1.640	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(NCH)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(CC[6a]CH)(PC[6a]2N)(H)	P(C[6a]C[6a]2)2(NCH)(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2N)(H)	103.5806	2.987	8	103.5806	8.924	8	103.5806	8.924	8	103.9388	7.564	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:N-2:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(C[6]C[6]2H)(PC[6a]2N)(H)	P(C[6a]C[6a]2)2(NC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)(H)	105.3715	0.688	2	105.3715	0.473	2	105.3715	0.473	2	103.9388	7.564	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(OSn)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(OSn)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	108.5830	0.000	1	108.5830	0.000	1	106.5162	2.926	14	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(OSn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(OSn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	108.2560	0.000	1	108.2560	0.000	1	106.5162	2.926	14	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(OZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(OZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	104.6410	0.122	6	104.6410	0.015	6	106.5162	2.926	14	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(OZn)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(OZn)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(CCCH)2	107.7570	0.254	6	107.7570	0.065	6	106.5162	2.926	14	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(SPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NS)	N(PC[6a]2S)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(SPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CCCH)2	105.0480	0.000	1	105.0480	0.000	1	107.4465	11.506	2	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(NCC)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	N(PC[6a]2S)(CCCH)2	P(C[6a]C[6a]2)2(NCC)(SPd)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	N(PC[6a]2S)(CCCH)2	109.8450	0.000	1	109.8450	0.000	1	107.4465	11.506	2	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:N-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)(NCC)2(OMn)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PNNO)	N(PC[6a]NO)(CH3)2	P(C[6a]C[6a]2)(NCC)2(OMn)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PNNO){1|H<1>,2|C<3>}	N(PC[6a]NO)(CH3)2	108.5070	3.610	8	108.5070	13.031	8	108.4438	10.267	10	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:N-3:N-3:O-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)(NCC)2(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PNNO)	N(PC[6a]NO)(CCCH)2	P(C[6a]C[6a]2)(NCC)2(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PNNO){1|C<3>,2|H<1>}	N(PC[6a]NO)(CCCH)2	108.1910	1.013	2	108.1910	1.025	2	108.4438	10.267	10	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:2:	3:3:4:	4:4:4:	C[6a]-3:N-3:N-3:S-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)(NCC)2(SAu)	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(PNNS)	N(PC[6a]NS)(CCHH)2	P(C[6a]C[6a]2)(NCC)2(SAu)	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(PNNS){1|C<3>,2|H<1>}	N(PC[6a]NS)(CCHH)2	110.2752	2.437	4	110.2752	5.937	4	110.2752	5.937	4	107.7220	7.295	30	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)2(NC[6a]H)(CBiP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[6a]2)2(NC[6a]H)(CBiP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	104.0360	4.971	2	104.0360	24.710	2	104.0360	24.710	2	104.0360	24.710	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:H-1:	P(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(H)2	P(C[6a]C[6a]2)3(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(H)2	110.0753	3.727	6	110.0753	13.890	6	110.0753	13.890	6	108.8367	15.461	8	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:O-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:H-1:	P(C[6a]C[6a]2)2(OLi2)(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]NO)	N(PC[6a]2O)(H)2	P(C[6a]C[6a]2)2(OLi2)(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]NO){1|C<3>,2|H<1>}	N(PC[6a]2O)(H)2	105.1210	1.399	2	105.1210	1.956	2	105.1210	1.956	2	108.8367	15.461	8	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(CHP)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(CCCH)(H)	P(C[6a]C[6a]2)2(CHP)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(CCCH)(H)	107.6795	3.115	2	107.6795	9.702	2	107.6795	9.702	2	109.3395	12.499	18	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(CC[5a]HH)(PC[6a]3)(H)	P(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(CC[5a]HH)(PC[6a]3)(H)	110.2073	4.753	3	110.2073	22.591	3	110.2073	22.591	3	109.3395	12.499	18	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N)	N(PC[6a]3)(CC3)(H)	P(C[6a]C[6a]2)3(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]2N){1|C<3>,2|H<1>}	N(PC[6a]3)(CC3)(H)	110.5163	4.075	3	110.5163	16.602	3	110.5163	16.602	3	109.3395	12.499	18	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:P-4:	P-4:Si-4:H-1:	P(C[6a]C[6a]2)2(NSiH)(CCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(SiC3)(H)	P(C[6a]C[6a]2)2(NSiH)(CCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(SiC3)(H)	106.0600	0.741	2	106.0600	0.549	2	106.0600	0.549	2	109.3395	12.499	18	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:N-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(NCH)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN)	N(PC[6a]2N)(CCCH)(H)	P(C[6a]C[6a]2)2(NCH)2	C[6a](C[6a]C[6a]H)2(PC[6a]NN){1|C<3>,2|H<1>}	N(PC[6a]2N)(CCCH)(H)	109.8076	3.559	8	109.8076	12.666	8	109.8076	12.666	8	109.3395	12.499	18	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:C[5]-3:N-3:	P-4:C[6a]-3:C[6a]-3:	C[3x6]-4:P-4:H-1:	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[3x6]H)	C[6a](PC[6a]C[5]N)(C[6a]C[6a]H)2	N(C[3x6]C[6,6]3)(PC[6a]2C[5])(H)	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[3x6]H)	C[6a](PC[6a]C[5]N)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]2C[5])(H)	106.1905	3.214	2	106.1905	10.329	2	106.1905	10.329	2	106.1905	10.329	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-4:	C[5a,6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	107.5095	3.143	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:3:4:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(C[6a]C[6a]2)(PC[6a]2C)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(PC[6a]2C)(H)	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	107.5095	3.143	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:H-1:	P(C[6a]C[6a]2)2(CH3)(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(H)2	P(C[6a]C[6a]2)2(CH3)(NHH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(H)2	111.2240	3.039	2	111.2240	9.236	2	111.2240	9.236	2	111.2240	9.236	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-3:H-1:	P(C[6a]C[6a]2)2(BHHP)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2B)(PC[6a]2)(H)	P(C[6a]C[6a]2)2(BHHP)(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(PC[6a]2)(H)	107.9875	0.165	2	107.9875	0.027	2	107.9875	0.027	2	107.9875	0.027	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(CC[6a]CH)(PC[6a]2B)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]2B)(H)	107.1183	2.905	4	107.1183	8.439	4	107.1183	8.439	4	108.4164	11.412	8	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2B)(CCHH)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCHH)(H)	108.0015	0.226	2	108.0015	0.051	2	108.0015	0.051	2	108.4164	11.412	8	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)2(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2C)(CCCH)(H)	P(C[6a]C[6a]2)2(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2C)(CCCH)(H)	111.4275	5.413	2	111.4275	29.300	2	111.4275	29.300	2	108.4164	11.412	8	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]BN)	N(PC[6a]2B)(CCCH)(CH3)	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCCH)(CH3)	107.6100	0.000	1	107.6100	0.000	1	107.3878	0.671	4	108.6291	3.557	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[6a]BN)	N(PC[6a]2B)(CCCH)(CH3)	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCCH)(CH3)	107.4880	1.328	2	107.4880	1.763	2	107.3878	0.671	4	108.6291	3.557	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]O)2(PC[6a]BN)	N(PC[6a]2B)(CCCH)(CH3)	P(C[6a]C[6a]2)2(BH3)(NCC)	C[6a](C[6a]C[6a]O)2(PC[6a]BN){1|C<3>,2|H<1>}	N(PC[6a]2B)(CCCH)(CH3)	106.9650	0.000	1	106.9650	0.000	1	107.3878	0.671	4	108.6291	3.557	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(CH3)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2Rh)(PC[6a]2C)(CCHH)	P(C[6a]C[6a]2)2(CH3)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2Rh)(PC[6a]2C)(CCHH)	110.9745	0.476	2	110.9745	0.226	2	109.4567	3.945	6	108.6291	3.557	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:3:	3:3:4:	4:4:4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:C-4:	P(C[6a]C[6a]2)2(CNiHH)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	N(PC[6a]2Ni)(PC[6a]2C)(CCHH)	P(C[6a]C[6a]2)2(CNiHH)(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	N(PC[6a]2Ni)(PC[6a]2C)(CCHH)	108.6977	2.048	4	108.6977	4.196	4	109.4567	3.945	6	108.6291	3.557	10	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:3:4:4:	3:3:4:	4:4:4:	C[6a]-3:N-3:B-4:C-4:	C[6a]-3:C[6a]-3:P-4:	C[5]-4:P-4:C-4:	P(C[6a]C[6a]2)(NC[5]C)(BH3)(CH3)	C[6a](C[6a]C[6a]H)2(PBCN)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)(CH3)	P(C[6a]C[6a]2)(NC[5]C)(BH3)(CH3)	C[6a](C[6a]C[6a]H)2(PBCN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)(CH3)	104.3810	0.000	1	104.3810	0.000	1	104.3810	0.000	1	104.3810	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:4:3:1:	3:3:4:	4:1:1:	C[6a]-3:C-4:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:H-1:H-1:	P(C[6a]C[6a]2)(CC3)(NHH)(O)	C[6a](C[6a]C[6a]H)2(PCNO)	N(PC[6a]CO)(H)2	P(C[6a]C[6a]2)(CC3)(NHH)(O)	C[6a](C[6a]C[6a]H)2(PCNO){1|C<3>,2|H<1>}	N(PC[6a]CO)(H)2	104.8880	0.000	1	104.8880	0.000	1	104.8880	0.000	1	104.8880	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:4:3:1:	3:3:4:	4:4:1:	C[6a]-3:C-4:N-3:O-1:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)(CC3)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PCNO)	N(CC[6a]CH)(PC[6a]CO)(H)	P(C[6a]C[6a]2)(CC3)(NCH)(O)	C[6a](C[6a]C[6a]H)2(PCNO){1|C<3>,2|H<1>}	N(CC[6a]CH)(PC[6a]CO)(H)	105.6230	0.000	1	105.6230	0.000	1	105.6230	0.000	1	105.6230	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:4:3:3:	3:3:4:	4:4:4:	C[6a]-3:B-4:N-3:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[6a]C[6a]2)(BH3)(NCC)2	C[6a](C[6a]C[6a]H)2(PBNN)	N(PC[6a]BN)(CCCH)(CH3)	P(C[6a]C[6a]2)(BH3)(NCC)2	C[6a](C[6a]C[6a]H)2(PBNN){1|C<3>,2|H<1>}	N(PC[6a]BN)(CCCH)(CH3)	104.5945	1.785	2	104.5945	3.188	2	104.5945	3.188	2	104.5945	3.188	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:B-4:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	C-4:P-4:H-1:	P(C[6a]C[6a]2)(BH3)(CC3)(NCH)	C[6a](C[6a]C[6a]H)2(PBCN)	N(CC[6a]HH)(PC[6a]BC)(H)	P(C[6a]C[6a]2)(BH3)(CC3)(NCH)	C[6a](C[6a]C[6a]H)2(PBCN){1|C<3>,2|H<1>}	N(CC[6a]HH)(PC[6a]BC)(H)	109.4590	0.000	1	109.4590	0.000	1	109.4590	0.000	1	109.9415	0.466	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:P-4:C-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:H-1:	P(C[6a]C[6a]2)(PC[6a]WW)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(PCNP)	N(PC[6a]CP)(CC3)(H)	P(C[6a]C[6a]2)(PC[6a]WW)(CH3)(NCH)	C[6a](C[6a]C[6a]H)2(PCNP){1|C<3>,2|C<4>}	N(PC[6a]CP)(CC3)(H)	110.4240	0.000	1	110.4240	0.000	1	110.4240	0.000	1	109.9415	0.466	2	106.3659	10.449	227	106.3659	10.449	227
992	643	956	0:SP3_SP2_SP3	P	C[6a]	N	4:3:4:3:	3:3:4:	4:4:4:	C[5]-4:C[6a]-3:B-4:N-3:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:C-4:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[5]BN)	N(PC[6a]C[5]B)(CCCH)(CH3)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	C[6a](C[6a]C[6a]H)2(PC[5]BN){1|C<3>,2|H<1>}	N(PC[6a]C[5]B)(CCCH)(CH3)	103.1740	0.000	1	103.1740	0.000	1	103.1740	0.000	1	103.1740	0.000	1	106.3659	10.449	227	106.3659	10.449	227
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:1:1:	3:3:4:	4:	C[6a]-3:N-2:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(NC)(S)2	C[6a](C[6a]C[6a]H)2(PNSS)	S(PC[6a]NS)	P(C[6a]C[6a]2)(NC)(S)2	C[6a](C[6a]C[6a]H)2(PNSS){1|C<3>,2|H<1>}	S(PC[6a]NS)	108.5265	1.100	2	108.5265	1.209	2	108.5265	1.209	2	110.7105	1.095	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:O-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC)(O)(S)	C[6a](C[6a]C[6a]H)2(POOS)	S(PC[6a]OO)	P(C[6a]C[6a]2)(OC)(O)(S)	C[6a](C[6a]C[6a]H)2(POOS){1|C<3>,2|H<1>}	S(PC[6a]OO)	110.8604	0.899	27	110.8604	0.808	27	110.8827	0.858	30	110.7105	1.095	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:O-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC[6a])(O)(S)	C[6a](C[6a]C[6a]H)2(POOS)	S(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6a])(O)(S)	C[6a](C[6a]C[6a]H)2(POOS){1|C<3>,2|H<1>}	S(PC[6a]OO)	111.0833	1.369	3	111.0833	1.873	3	110.8827	0.858	30	110.7105	1.095	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC)(S)2	C[6a](C[6a]C[6a]H)2(POSS)	S(PC[6a]OS)	P(C[6a]C[6a]2)(OC)(S)2	C[6a](C[6a]C[6a]H)2(POSS){1|C<3>,2|H<1>}	S(PC[6a]OS)	110.4693	1.057	6	110.4693	1.118	6	110.6106	0.870	8	110.7105	1.095	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:1:1:	3:3:4:	4:	C[6a]-3:O-2:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC[6])(S)2	C[6a](C[6a]C[6a]H)2(POSS)	S(PC[6a]OS)	P(C[6a]C[6a]2)(OC[6])(S)2	C[6a](C[6a]C[6a]H)2(POSS){1|C<3>,2|H<1>}	S(PC[6a]OS)	111.0345	0.153	2	111.0345	0.024	2	110.6106	0.870	8	110.7105	1.095	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(OC)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POOS)	S(PC[6a]OO)	P(C[6a]C[6a,6a]C[6a])(OC)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POOS){1|H<1>,1|P<4>,3|C<3>}	S(PC[6a]OO)	118.1430	0.000	1	118.1430	0.000	1	118.1430	0.000	1	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC[6a])2(S)	C[6a](C[6a]C[6a]H)2(POOS)	S(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6a])2(S)	C[6a](C[6a]C[6a]H)2(POOS){1|C<3>,2|H<1>}	S(PC[6a]OO)	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC)(SP)(S)	C[6a](C[6a]C[6a]H)2(POSS)	S(PC[6a]OS)	P(C[6a]C[6a]2)(OC)(SP)(S)	C[6a](C[6a]C[6a]H)2(POSS){1|C<3>,2|H<1>}	S(PC[6a]OS)	116.8066	1.060	22	116.8066	1.123	22	117.0830	1.466	32	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:O-2:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC)(SS)(S)	C[6a](C[6a]C[6a]H)2(POSS)	S(PC[6a]OS)	P(C[6a]C[6a]2)(OC)(SS)(S)	C[6a](C[6a]C[6a]H)2(POSS){1|C<3>,2|H<1>}	S(PC[6a]OS)	117.6911	1.353	10	117.6911	1.831	10	117.0830	1.466	32	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:S-2:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(SNi)(OC)(S)	C[6a](C[6a]C[6a]H)2(POSS)	S(PC[6a]OS)	P(C[6a]C[6a]2)(SNi)(OC)(S)	C[6a](C[6a]C[6a]H)2(POSS){1|C<3>,2|H<1>}	S(PC[6a]OS)	112.6717	0.748	3	112.6717	0.559	3	113.8452	2.862	5	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:S-2:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(SSn)(OC)(S)	C[6a](C[6a]C[6a]H)2(POSS)	S(PC[6a]OS)	P(C[6a]C[6a]2)(SSn)(OC)(S)	C[6a](C[6a]C[6a]H)2(POSS){1|C<3>,2|H<1>}	S(PC[6a]OS)	115.6055	0.033	2	115.6055	0.001	2	113.8452	2.862	5	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:2:1:	3:3:4:	4:	C[6a]-3:S-2:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(SC)2(S)	C[6a](C[6a]C[6a]H)2(PS3)	S(PC[6a]SS)	P(C[6a]C[6a]2)(SC)2(S)	C[6a](C[6a]C[6a]H)2(PS3){1|C<3>,2|H<1>}	S(PC[6a]SS)	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	116.6672	2.683	40	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:3:1:	3:3:4:	4:	C[6a]-3:O-2:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(OC[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)2(PNOS)	S(PC[6a]NO)	P(C[6a]C[6a]2)(OC[6a])(NCH)(S)	C[6a](C[6a]C[6a]H)2(PNOS){1|C<3>,2|H<1>}	S(PC[6a]NO)	115.5740	0.000	1	115.5740	0.000	1	115.5740	0.000	1	115.5740	0.000	1	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:2:4:1:	3:3:4:	4:	C[6a]-3:S-2:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(SC[6])(CC3)(S)	C[6a](C[6a]C[6a]H)2(PCSS)	S(PC[6a]CS)	P(C[6a]C[6a]2)(SC[6])(CC3)(S)	C[6a](C[6a]C[6a]H)2(PCSS){1|C<3>,2|H<1>}	S(PC[6a]CS)	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	111.8570	0.000	1	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[6a](C[6a]C[6a]H)2(PC[5]SS)	S(PC[6a]C[5]S)	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[6a](C[6a]C[6a]H)2(PC[5]SS){1|C<3>,2|H<1>}	S(PC[6a]C[5]S)	109.6825	0.607	4	109.6825	0.368	4	109.6825	0.368	4	110.7058	5.080	16	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:H-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]HS)	S(PC[6a]2H)	P(C[6a]C[6a]2)2(H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]HS){1|C<3>,2|H<1>}	S(PC[6a]2H)	114.2092	0.436	4	114.2092	0.190	4	114.2092	0.190	4	110.7058	5.080	16	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(O)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS)	S(PC[6a]2O)	P(C[6a]C[6a]2)2(O)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS){1|C<3>,2|H<1>}	S(PC[6a]2O)	110.6115	0.790	2	110.6115	0.624	2	110.6115	0.624	2	110.7058	5.080	16	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(S)2	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(S)2	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	108.6912	0.800	4	108.6912	0.641	4	108.6912	0.641	4	110.7058	5.080	16	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:S-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(S)2	C[6a](C[6a]C[6a]H)2(PN[6]SS)	S(PC[6a]N[6]S)	P(C[6a]C[6a]2)(N[6]C[6]2)(S)2	C[6a](C[6a]C[6a]H)2(PN[6]SS){1|C<3>,2|H<1>}	S(PC[6a]N[6]S)	109.8690	1.024	2	109.8690	1.048	2	109.8690	1.048	2	110.7058	5.080	16	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CW)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CW)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.0875	0.306	2	113.0875	0.094	2	113.0875	0.094	2	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	114.1115	0.155	2	114.1115	0.024	2	112.1150	5.899	10	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	113.0965	1.930	2	113.0965	3.724	2	112.1150	5.899	10	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	111.1223	2.590	6	111.1223	6.707	6	112.1150	5.899	10	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(OC)(S)	C[6a](C[6a]C[6a]C)2(PC[6a]OS)	S(PC[6a]2O)	P(C[6a]C[6a]2)2(OC)(S)	C[6a](C[6a]C[6a]C)2(PC[6a]OS){1|C<3>,2|H<1>}	S(PC[6a]2O)	115.7230	5.261	2	115.7230	27.677	2	114.2672	2.075	24	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(OC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS)	S(PC[6a]2O)	P(C[6a]C[6a]2)2(OC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS){1|C<3>,2|H<1>}	S(PC[6a]2O)	113.8428	0.836	6	113.8428	0.699	6	114.2672	2.075	24	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(OC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS)	S(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS){1|C<3>,2|H<1>}	S(PC[6a]2O)	114.1077	0.868	4	114.1077	0.753	4	114.2672	2.075	24	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(OC[6a])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS)	S(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[6a])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS){1|C<3>,2|H<1>}	S(PC[6a]2O)	114.6189	0.514	10	114.6189	0.264	10	114.2672	2.075	24	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:O-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(OGe[6])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS)	S(PC[6a]2O)	P(C[6a]C[6a]2)2(OGe[6])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]OS){1|C<3>,2|H<1>}	S(PC[6a]2O)	112.6455	0.077	2	112.6455	0.006	2	114.2672	2.075	24	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(SC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(SC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	113.3980	0.249	2	113.3980	0.062	2	113.1942	3.188	20	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(SC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(SC[5])(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	113.9550	0.963	2	113.9550	0.928	2	113.1942	3.188	20	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(SMo)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(SMo)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	110.1040	0.239	2	110.1040	0.057	2	113.1942	3.188	20	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(SS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(SS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	114.8905	1.427	6	114.8905	2.035	6	113.1942	3.188	20	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(SSn)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(SSn)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	113.1200	0.769	4	113.1200	0.592	4	113.1942	3.188	20	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(SW)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS)	S(PC[6a]2S)	P(C[6a]C[6a]2)2(SW)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]SS){1|C<3>,2|H<1>}	S(PC[6a]2S)	111.7867	0.823	4	111.7867	0.677	4	113.1942	3.188	20	113.4576	3.580	56	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[5a]2S)	S(PC[5a]2C[6a])	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[5a]2S){1|C<3>,2|H<1>}	S(PC[5a]2C[6a])	110.0680	0.000	1	110.0680	0.000	1	110.0680	0.000	1	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.5105	0.077	2	112.5105	0.006	2	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.0712	0.654	4	113.0712	0.428	4	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	114.8055	1.971	2	114.8055	3.884	2	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[5]O)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[5]O)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.9700	0.808	2	113.9700	0.652	2	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CClP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CClP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.5155	1.333	4	112.5155	1.776	4	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.7528	0.705	8	113.7528	0.498	8	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CNN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CNN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	111.8585	0.803	4	111.8585	0.645	4	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CNS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CNS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.9440	0.161	2	113.9440	0.026	2	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CSW)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CSW)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.4635	0.467	2	113.4635	0.218	2	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CSiP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CSiP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	111.5093	1.593	4	111.5093	2.539	4	113.0361	1.669	34	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[5,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S){2|C<3>,3|C<4>}	S(PC[6a]3)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a,6a]-3:C[6a,6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]2S){2|H<1>,5|C<3>}	S(PC[6a]3)	114.8503	1.208	31	114.8503	1.460	31	114.8503	1.460	31	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	S(PC[6a]3)	119.6400	0.000	1	116.5470	7.176	3	114.9358	6.185	6	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2S){1|Si<4>,1|H<1>,3|C<3>}	S(PC[6a]3)	115.0005	0.036	2	116.5470	7.176	3	114.9358	6.185	6	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2S){2|H<1>,3|C<3>}	S(PC[6a]3)	113.8730	0.000	1	113.8730	0.000	1	114.9358	6.185	6	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(PC[6a]2S){2|H<1>,5|C<3>}	S(PC[6a]3)	113.0505	0.739	2	113.0505	0.546	2	114.9358	6.185	6	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	109.3430	0.730	2	109.3430	0.533	2	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.9960	0.450	62	112.9960	0.202	62	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.2410	2.261	12	112.2410	5.111	12	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2S){1|H<1>,2|C<3>}	S(PC[6a]3)	113.0500	0.000	1	113.0500	0.000	1	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2S){2|H<1>,3|C<3>}	S(PC[6a]3)	109.7335	0.009	2	109.7335	0.000	2	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2S){1|C<3>,1|C<4>,1|H<1>}	S(PC[6a]3)	120.1760	0.000	1	113.7553	6.386	12	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	113.1716	1.590	11	113.7553	6.386	12	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C)2(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.4993	7.135	3	112.4993	50.903	3	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(PC[6a]2S){1|C<3>,2|C<4>,3|H<1>}	S(PC[6a]3)	115.1450	0.000	1	115.1450	0.000	1	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.9180	1.660	3	112.9180	2.756	3	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	114.1432	1.894	4	114.1432	3.586	4	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	116.7470	0.000	2	116.7470	0.000	2	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.2120	0.000	1	112.2120	0.000	1	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|Br<1>,1|C<3>,1|C<4>}	S(PC[6a]3)	112.7600	0.000	1	112.3058	4.630	77	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,1|H<1>,1|N<2>}	S(PC[6a]3)	113.5180	0.000	1	112.3058	4.630	77	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,1|H<1>,1|O<2>}	S(PC[6a]3)	113.5940	0.000	1	112.3058	4.630	77	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.2545	2.198	73	112.3058	4.630	77	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]2)3(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|H<1>,2|C<3>}	S(PC[6a]3)	113.0960	0.000	1	112.3058	4.630	77	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]H)2(PC[6a]2S){1|C<3>,2|H<1>}	S(PC[6a]3)	112.1595	0.489	4	112.1595	0.239	4	112.6815	3.958	186	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a]-3:N[6a]-3:P-4:	P-4:	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S)	S(PC[6a]3)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]H)(PC[6a]2S){1|O<1>,4|C<3>}	S(PC[6a]3)	109.4560	0.414	2	109.4560	0.172	2	109.4560	0.172	2	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	112.5620	0.824	2	112.5620	0.680	2	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	112.3248	1.664	5	112.3248	2.769	5	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NCC)(S)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	111.5940	0.000	1	111.5940	0.000	1	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NCP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NCP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	110.8135	2.634	2	110.8135	6.938	2	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC[5]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[5]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	113.0370	1.429	11	113.0370	2.041	11	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	112.8118	1.438	4	112.8118	2.069	4	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6a]H)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	113.4278	0.843	10	113.4278	0.711	10	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NC[6a]P)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NC[6a]P)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	112.6342	1.094	4	112.6342	1.196	4	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS)	S(PC[6a]2N)	P(C[6a]C[6a]2)2(NHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]NS){1|C<3>,2|H<1>}	S(PC[6a]2N)	113.9847	0.956	6	113.9847	0.914	6	112.9632	1.872	45	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS)	S(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS){1|C<3>,2|H<1>}	S(PC[6a]2P)	112.7983	0.284	6	112.7983	0.081	6	112.7983	0.081	6	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:N-3:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(NCH)(NCP)(S)	C[6a](C[6a]C[6a]H)2(PNNS)	S(PC[6a]NN)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	C[6a](C[6a]C[6a]H)2(PNNS){1|C<3>,2|H<1>}	S(PC[6a]NN)	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PN[5a]2S)	S(PC[6a]N[5a]2)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PN[5a]2S){1|C<3>,2|H<1>}	S(PC[6a]N[5a]2)	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	112.9861	3.620	314	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	113.2800	1.229	2	113.2800	1.510	2	113.8184	1.844	14	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	113.7063	1.466	10	113.7063	2.149	10	113.8184	1.844	14	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	114.9175	0.057	2	114.9175	0.003	2	113.8184	1.844	14	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2	S(PC[5a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5a]C[6a]2)	112.3690	0.025	2	112.3690	0.001	2	113.3778	1.804	20	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2	S(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5a]C[6a]2)	111.3700	0.491	2	111.3700	0.241	2	113.3778	1.804	20	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2	S(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5a]C[6a]2)	113.2995	1.715	2	113.2995	2.940	2	113.3778	1.804	20	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2	S(PC[5a]C[6a]2)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5a]C[6a]2)	113.8410	0.830	10	113.8410	0.689	10	113.3778	1.804	20	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2	S(PC[5a]C[6a]2)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5a]C[6a]2)	114.0005	0.968	2	114.0005	0.937	2	113.3778	1.804	20	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2	S(PC[5a]C[6a]2)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(S)	C[6a](PC[5a]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5a]C[6a]2)	113.5345	3.299	2	113.5345	10.881	2	113.3778	1.804	20	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6]P[6]S[6])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2	S(PC[6a]2C[6])	P(C[6]P[6]S[6])(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[6])	111.2228	0.671	4	111.2228	0.451	4	111.2228	0.451	4	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2)(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	112.6205	0.513	2	112.6205	0.263	2	112.6205	0.263	2	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:3:1:	4:3:3:	4:	N[5a]-3:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]N[5a]S)(C[6a]C[6a]H)2	S(PC[6a]2N[5a])	P(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]N[5a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2N[5a])	113.2530	0.938	2	113.2530	0.879	2	113.2530	0.879	2	113.2775	2.020	42	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]CS){1|H<1>,1|P<4>,3|C<3>}	S(PC[6a]2C)	117.4950	0.000	1	117.4950	0.000	1	118.2473	83.718	3	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])2(CCCH)(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a,6a]C[6a])2(CCCH)(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]CS){1|H<1>,1|P<4>,3|C<3>}	S(PC[6a]2C)	118.6235	12.907	2	118.6235	166.586	2	118.2473	83.718	3	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	114.1770	0.000	1	114.1770	0.000	1	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CBHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CBHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.7810	0.116	2	112.7810	0.013	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CBrFF)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CBrFF)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	115.1060	0.989	2	115.1060	0.977	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.0708	0.552	4	113.0708	0.304	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCCS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCCS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	111.1630	1.051	2	111.1630	1.104	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCHH)(S)	C[6a](C[6a]C[6a]C)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCHH)(S)	C[6a](C[6a]C[6a]C)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	115.3370	9.132	2	115.3370	83.386	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CCHH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CCHH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.7890	0.457	8	113.7890	0.209	8	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[5]CH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[5]CH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.0500	0.682	6	113.0500	0.465	6	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[6]CH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6]CH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.8490	0.798	2	112.8490	0.636	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.7245	0.906	6	112.7245	0.820	6	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.5935	1.031	8	113.5935	1.064	8	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.0225	0.748	6	113.0225	0.559	6	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CClHS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CClHS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	114.3473	1.054	4	114.3473	1.112	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CClSiH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CClSiH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.9780	0.902	6	112.9780	0.814	6	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CFFP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CFFP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	114.6827	0.712	4	114.6827	0.508	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CGe[4]HP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CGe[4]HP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.5425	0.674	4	113.5425	0.454	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CH3)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CH3)(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.7290	1.082	2	112.7290	1.170	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CH3)(S)	C[6a](C[6a]C[6a]C)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CH3)(S)	C[6a](C[6a]C[6a]C)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.6220	0.000	1	113.6220	0.000	1	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CH3)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CH3)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.5700	0.000	1	113.5700	0.000	1	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CHHN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CHHN)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.5505	0.343	4	112.5505	0.118	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CHHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CHHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.2895	1.317	8	113.2895	1.734	8	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CHHS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CHHS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	113.2225	0.151	2	113.2225	0.023	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CHPS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CHPS)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.4495	1.654	2	112.4495	2.735	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CReCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CReCH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.5930	1.599	2	112.5930	2.558	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CSiHH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CSiHH)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.7965	0.054	2	112.7965	0.003	2	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CSiHI)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CSiHI)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.7640	0.701	4	112.7640	0.491	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(CSnHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS)	S(PC[6a]2C)	P(C[6a]C[6a]2)2(CSnHP)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]CS){1|C<3>,2|H<1>}	S(PC[6a]2C)	112.1120	0.762	4	112.1120	0.581	4	113.2498	1.984	99	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(PC[6a]2Cr)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS)	S(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2Cr)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS){1|C<3>,2|H<1>}	S(PC[6a]2P)	111.3230	0.457	2	111.3230	0.209	2	112.7046	1.606	8	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(PC[6a]2Fe)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS)	S(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2Fe)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS){1|C<3>,2|H<1>}	S(PC[6a]2P)	112.3640	1.942	2	112.3640	3.770	2	112.7046	1.606	8	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:P-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(PC[6a]2S)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS)	S(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2S)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS){1|C<3>,2|H<1>}	S(PC[6a]2P)	113.5658	0.288	4	113.5658	0.083	4	112.7046	1.606	8	113.3464	4.123	110	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[4]-4:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[4]C[4]2H)(S)	C[6a](PC[6a]C[4]S)(C[6a]C[6a]H)2	S(PC[6a]2C[4])	P(C[6a]C[6a]2)2(C[4]C[4]2H)(S)	C[6a](PC[6a]C[4]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[4])	113.9002	1.559	4	113.9002	2.429	4	113.9002	2.429	4	113.3967	2.519	8	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[5]-4:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2H)(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2H)(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	112.8120	2.466	2	112.8120	6.083	2	112.8120	6.083	2	113.3967	2.519	8	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:3:4:1:	4:3:3:	4:	C[6a]-3:C[6a]-3:C[6]-4:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2H)(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2	S(PC[6a]2C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2H)(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[6])	112.9745	1.486	2	112.9745	2.207	2	112.9745	2.207	2	113.3967	2.519	8	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:Cl-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC3)(Cl)(S)	C[6a](C[6a]C[6a]H)2(PClCS)	S(PC[6a]ClC)	P(C[6a]C[6a]2)(CC3)(Cl)(S)	C[6a](C[6a]C[6a]H)2(PClCS){1|C<3>,2|H<1>}	S(PC[6a]ClC)	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	110.7220	3.457	4	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:O-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC3)(O)(S)	C[6a](C[6a]C[6a]H)2(PCOS)	S(PC[6a]CO)	P(C[6a]C[6a]2)(CC3)(O)(S)	C[6a](C[6a]C[6a]H)2(PCOS){1|C<3>,2|H<1>}	S(PC[6a]CO)	109.4945	0.763	2	109.4945	0.582	2	109.8557	0.682	3	110.7220	3.457	4	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:1:1:	3:3:4:	4:	C[6a]-3:C-4:O-1:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)(O)(S)	C[6a](C[6a]C[6a]H)2(PCOS)	S(PC[6a]CO)	P(C[6a]C[6a]2)(CCHH)(O)(S)	C[6a](C[6a]C[6a]H)2(PCOS){1|C<3>,2|H<1>}	S(PC[6a]CO)	110.5780	0.000	1	110.5780	0.000	1	109.8557	0.682	3	110.7220	3.457	4	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:3:1:	3:3:4:	4:	C[6a]-3:P-4:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)(S)	C[6a](C[6a]C[6a]H)2(PNPS)	S(PC[6a]NP)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)(S)	C[6a](C[6a]C[6a]H)2(PNPS){1|C<3>,2|H<1>}	S(PC[6a]NP)	111.1340	0.679	2	111.1340	0.461	2	111.1340	0.461	2	111.1340	0.461	2	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a,6a]-3:C[6a,6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]2)(CCCH)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a,6a]2)(CCCH)2(S)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCCS){2|H<1>,5|C<3>}	S(PC[6a]CC)	116.0699	0.410	7	116.0699	0.168	7	116.0699	0.168	7	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCCS){1|H<1>,1|P<3>,3|C<3>}	S(PC[6a]CC)	116.5020	6.306	2	113.3862	17.234	6	113.0360	15.220	7	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCCS){1|H<1>,1|P<4>,3|C<3>}	S(PC[6a]CC)	111.8282	2.400	4	113.3862	17.234	6	113.0360	15.220	7	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a,6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(PCCS){1|H<1>,1|P<4>,3|C<3>}	S(PC[6a]CC)	110.9350	0.000	1	110.9350	0.000	1	113.0360	15.220	7	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCCH)2(S)	C[6a](C[6a]C[6a]H)2(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a]2)(CCCH)2(S)	C[6a](C[6a]C[6a]H)2(PCCS){1|C<3>,1|H<1>,1|P<4>}	S(PC[6a]CC)	112.9760	1.317	2	112.9760	1.734	2	112.9420	0.630	5	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)2(S)	C[6a](C[6a]C[6a]H)2(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a]2)(CCHH)2(S)	C[6a](C[6a]C[6a]H)2(PCCS){1|C<3>,2|H<1>}	S(PC[6a]CC)	113.3640	0.000	1	113.3640	0.000	1	112.9420	0.630	5	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	C[6a](C[6a]C[6a]H)2(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	C[6a](C[6a]C[6a]H)2(PCCS){1|C<3>,2|H<1>}	S(PC[6a]CC)	113.1900	0.000	1	113.1900	0.000	1	112.9420	0.630	5	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(CH3)2(S)	C[6a](C[6a]C[6a]2)2(PCCS)	S(PC[6a]CC)	P(C[6a]C[6a]2)(CH3)2(S)	C[6a](C[6a]C[6a]2)2(PCCS){2|H<1>,5|C<3>}	S(PC[6a]CC)	112.2040	0.000	1	112.2040	0.000	1	112.9420	0.630	5	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[3]-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	C[6a](C[6a]C[6a]H)2(PC[3]CS)	S(PC[6a]C[3]C)	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	C[6a](C[6a]C[6a]H)2(PC[3]CS){1|C<3>,2|H<1>}	S(PC[6a]C[3]C)	113.5670	0.000	1	113.5670	0.000	1	113.5670	0.000	1	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	C[6a](C[6a]C[6a]H)2(PCPS)	S(PC[6a]CP)	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	C[6a](C[6a]C[6a]H)2(PCPS){1|C<3>,2|H<1>}	S(PC[6a]CP)	112.3020	0.000	1	112.3020	0.000	1	113.3920	2.376	2	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	3:4:4:1:	3:3:4:	4:	C[6a]-3:P-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	C[6a](C[6a]C[6a]H)2(PCPS)	S(PC[6a]CP)	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	C[6a](C[6a]C[6a]H)2(PCPS){1|C<3>,2|H<1>}	S(PC[6a]CP)	114.4820	0.000	1	114.4820	0.000	1	113.3920	2.376	2	114.0365	6.677	22	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	4:3:3:1:	3:3:4:	4:	C[5]-4:C[6a]-3:C[5]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)2(PC[5]2S)	S(PC[6a]C[5]2)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]2)(S)	C[6a](C[6a]C[6a]H)2(PC[5]2S){1|C<3>,2|H<1>}	S(PC[6a]C[5]2)	113.0880	0.530	2	113.0880	0.281	2	113.0880	0.281	2	113.0880	0.281	2	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	112.2045	0.484	2	112.2045	0.235	2	112.8231	0.777	54	112.7245	0.784	66	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2	S(PC[6a]2C[5])	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[5]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[5])	112.8469	0.887	52	112.8469	0.788	52	112.8231	0.777	54	112.7245	0.784	66	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6]B[6]P[6]H)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2	S(PC[6a]2C[6])	P(C[6]B[6]P[6]H)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[6])	112.1178	0.926	6	112.1178	0.857	6	112.2807	0.626	12	112.7245	0.784	66	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2	S(PC[6a]2C[6])	P(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)2(S)	C[6a](PC[6a]C[6]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[6a]2C[6])	112.4437	0.675	6	112.4437	0.456	6	112.2807	0.626	12	112.7245	0.784	66	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	4:4:3:1:	3:3:4:	4:	C[5]-4:C[5]-4:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:P-4:	P-4:	P(C[5]C[5]2Fe)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[5]2S)	S(PC[6a]C[5]2)	P(C[5]C[5]2Fe)2(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(PC[5]2S){1|C<3>,2|H<1>}	S(PC[6a]C[5]2)	111.8904	0.820	7	111.8904	0.672	7	111.8904	0.672	7	111.8904	0.672	7	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	5:3:3:1:	4:3:3:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(S)	C[6a](PC[3x3,4,3x5,14x6]C[6a]S)(C[6a]C[6a]H)2	S(PC[3x3,4,3x5,14x6]C[6a]2)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(S)	C[6a](PC[3x3,4,3x5,14x6]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[3x3,4,3x5,14x6]C[6a]2)	111.9565	3.094	2	111.9565	9.570	2	111.9565	9.570	2	111.9565	9.570	2	113.1033	4.427	735	113.1033	4.427	735
992	643	977	0:SP3_SP-NON_SP2	P	C[6a]	S	6:3:3:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:S-1:	P-4:C[6a]-3:C[6a]-3:	P-4:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2(S)	C[6a](PC[5x3,5x5,20x6]C[6a]S)(C[6a]C[6a]H)2	S(PC[5x3,5x5,20x6]C[6a]2)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2(S)	C[6a](PC[5x3,5x5,20x6]C[6a]S)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	S(PC[5x3,5x5,20x6]C[6a]2)	112.8920	1.267	2	112.8920	1.606	2	112.8920	1.606	2	112.8920	1.606	2	113.1033	4.427	735	113.1033	4.427	735
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:2:2:1:	3:3:4:	4:2:	C[6a]-3:C-2:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)(CC)2(O)	C[6a](C[6a]C[6a]H)2(PCCO)	C(PC[6a]CO)(CC[6a])	P(C[6a]C[6a]2)(CC)2(O)	C[6a](C[6a]C[6a]H)2(PCCO){1|C<3>,2|H<1>}	C(PC[6a]CO)(CC[6a])	106.2670	0.985	4	106.2670	0.970	4	106.2670	0.970	4	106.2670	0.970	4	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[5a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[5a]CO)	C(PC[5a]C[6a]O)(CH)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[5a]CO){1|C<3>,2|H<1>}	C(PC[5a]C[6a]O)(CH)	107.1240	0.000	1	107.1240	0.000	1	107.1240	0.000	1	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)(CCH)(CC)(O)	C[6a](C[6a]C[6a]H)2(PCCO)	C(PC[6a]CO)(CC[6a])	P(C[6a]C[6a]2)(CCH)(CC)(O)	C[6a](C[6a]C[6a]H)2(PCCO){1|C<3>,2|H<1>}	C(PC[6a]CO)(CC[6a])	103.3115	0.356	2	103.3115	0.127	2	103.3115	0.127	2	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CO)	C(PC[6a]2O)(CC)	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CC)	106.8030	0.000	1	106.8030	0.000	1	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CO)	C(PC[6a]2O)(CFe)	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CFe)	105.9785	1.552	2	105.9785	2.409	2	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CO)	C(PC[6a]2O)(CH)	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CH)	105.2510	0.000	1	105.2510	0.000	1	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO)	C(PC[6a]2O)(CC)	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CC)	105.3750	1.229	2	105.3750	1.510	2	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO)	C(PC[6a]2O)(CC[6a])	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CC[6a])	104.2759	1.183	8	104.2759	1.400	8	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO)	C(PC[6a]2O)(CFe)	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CFe)	105.8790	1.614	6	105.8790	2.604	6	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:1:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:O-1:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO)	C(PC[6a]2O)(CH)	P(C[6a]C[6a]2)2(CC)(O)	C[6a](C[6a]C[6a]H)2(PC[6a]CO){1|C<3>,2|H<1>}	C(PC[6a]2O)(CH)	103.0830	0.000	1	103.0830	0.000	1	105.1107	2.225	21	105.0447	2.393	24	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	C(PC[6a]2N)(CC[6a])	P(C[6a]C[6a]2)2(CC)(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	C(PC[6a]2N)(CC[6a])	105.0125	0.203	2	105.0125	0.041	2	104.5757	1.115	6	104.5757	1.115	6	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	C(PC[6a]2N)(CP)	P(C[6a]C[6a]2)2(CC)(NB)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	C(PC[6a]2N)(CP)	103.8640	0.774	2	103.8640	0.598	2	104.5757	1.115	6	104.5757	1.115	6	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C-2:N-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(CC)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	C(PC[6a]2N)(CC[6a])	P(C[6a]C[6a]2)2(CC)(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	C(PC[6a]2N)(CC[6a])	104.8505	1.841	2	104.8505	3.388	2	104.5757	1.115	6	104.5757	1.115	6	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:N-2:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NSi)(CP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	C(PC[6a]2N)2	P(C[6a]C[6a]2)2(NSi)(CP)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	C(PC[6a]2N)2	111.1603	4.637	4	111.1603	21.501	4	111.1603	21.501	4	111.1603	21.501	4	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:2:3:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C-2:N-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(CC[6a])(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN)	C(C[6a]C[6a]2)(PC[6a]2N)	P(C[6a]C[6a]2)2(CC[6a])(NSiH)	C[6a](C[6a]C[6a]H)2(PC[6a]CN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]2N)	107.7215	0.525	2	107.7215	0.276	2	107.7215	0.276	2	107.7215	0.276	2	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:3:2:	3:3:4:	3:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)3(CC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]3)	P(C[6a]C[6a]2)3(CC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]2C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]3)	109.8610	2.831	3	109.8610	8.015	3	109.8610	8.015	3	109.8610	8.015	3	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:N-1:	P(C[6a]C[6a]2)2(CPP)(CN)	C[6a](C[6a]C[6a]H)2(PC[6a]CC)	C(PC[6a]2C)(N)	P(C[6a]C[6a]2)2(CPP)(CN)	C[6a](C[6a]C[6a]H)2(PC[6a]CC){1|C<3>,2|H<1>}	C(PC[6a]2C)(N)	100.8250	2.643	2	100.8250	6.986	2	100.8250	6.986	2	100.8250	6.986	2	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C-3:C-3:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)(CAlC)(CCP)(CC)	C[6a](C[6a]C[6a]C)2(PC3)	C(PC[6a]CC)(CC)	P(C[6a]C[6a]2)(CAlC)(CCP)(CC)	C[6a](C[6a]C[6a]C)2(PC3){1|C<3>,2|H<1>}	C(PC[6a]CC)(CC)	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	111.5861	2.018	7	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:3:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(PC[6a]2C)	C(PC[6a]3)(CO)	P(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]H)2(PC[6a]2C){1|C<3>,2|H<1>}	C(PC[6a]3)(CO)	111.4178	1.478	6	111.4178	2.183	6	111.4178	2.183	6	111.5861	2.018	7	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)3(CP)	C[6a](C[6a]C[6a]H)2(PC[6a]2C)	C(PC[6a]3)2	P(C[6a]C[6a]2)3(CP)	C[6a](C[6a]C[6a]H)2(PC[6a]2C){1|C<3>,2|H<1>}	C(PC[6a]3)2	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	113.6600	0.000	1	106.6937	12.380	55	106.6937	12.380	55
992	643	983	0:SP3_SP1_SP2	P	C[6a]	C	3:3:4:2:	3:3:4:	4:2:	C[6a]-3:C[6a]-3:B-4:C-2:	C[6a]-3:C[6a]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)2(BH3)(CC)	C[6a](C[6a]C[6a]H)2(PC[6a]BC)	C(PC[6a]2B)(CC)	P(C[6a]C[6a]2)2(BH3)(CC)	C[6a](C[6a]C[6a]H)2(PC[6a]BC){1|C<3>,2|H<1>}	C(PC[6a]2B)(CC)	104.2390	1.780	2	104.2390	3.170	2	104.2390	3.170	2	104.2390	3.170	2	106.6937	12.380	55	106.6937	12.380	55
992	643	984	0:SP3_SP-NON_SP2	P	C[6a]	Ga	3:3:4:4:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C[6a]-3:C[6a]-3:P-4:	P-4:Cl-1:Cl-1:Cl-1:	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]GaC)	Ga(PC[6a]2C)(Cl)3	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]GaC){1|C<3>,2|H<1>}	Ga(PC[6a]2C)(Cl)3	109.9795	1.660	2	109.9795	2.754	2	109.9795	2.754	2	109.9795	2.754	2	109.8717	2.547	6	109.8717	2.547	6
992	643	984	0:SP3_SP-NON_SP2	P	C[6a]	Ga	3:3:4:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C[6a]-3:C[6a]-3:P-4:	P-4:C-4:Cl-1:Cl-1:	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]GaC)	Ga(PC[6a]2C)(CCHH)(Cl)2	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]GaC){1|C<3>,2|H<1>}	Ga(PC[6a]2C)(CCHH)(Cl)2	110.7925	2.460	2	110.7925	6.052	2	110.7925	6.052	2	110.7925	6.052	2	109.8717	2.547	6	109.8717	2.547	6
992	643	984	0:SP3_SP-NON_SP2	P	C[6a]	Ga	3:4:3:4:	3:3:4:	4:1:1:1:	C[6a]-3:Ga-4:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	P-4:Cl-1:Cl-1:Cl-1:	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	C[6a](C[6a]C[6a]H)2(PGaCN)	Ga(PC[6a]CN)(Cl)3	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	C[6a](C[6a]C[6a]H)2(PGaCN){1|C<3>,2|H<1>}	Ga(PC[6a]CN)(Cl)3	108.8430	0.308	2	108.8430	0.095	2	108.8430	0.095	2	108.8430	0.095	2	109.8717	2.547	6	109.8717	2.547	6
992	643	992	0:SP3_SP2_SP3	P	C[6a]	P	3:3:4:1:	3:3:4:	3:3:4:1:	C[6a]-3:C[6a]-3:P-4:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-4:S-1:	P(C[6a]C[6a]2)2(PC[6a]2S)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS)	P(C[6a]C[6a]2)2(PC[6a]2S)(S)	P(C[6a]C[6a]2)2(PC[6a]2S)(S)	C[6a](C[6a]C[6a]H)2(PC[6a]PS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2S)(S)	102.8445	0.222	4	102.8445	0.049	4	102.8445	0.049	4	102.8445	0.049	4	105.5639	36.538	12	105.5639	36.538	12
992	643	992	0:SP3_SP2_SP3	P	C[6a]	P	3:3:4:4:	3:3:4:	4:1:1:1:	C[6a]-3:C[6a]-3:P-4:C-4:	C[6a]-3:C[6a]-3:P-4:	P-4:Cl-1:S-1:S-1:	P(C[6a]C[6a]2)2(PClSS)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]CP)	P(PC[6a]2C)(Cl)(S)2	P(C[6a]C[6a]2)2(PClSS)(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]CP){1|C<3>,2|H<1>}	P(PC[6a]2C)(Cl)(S)2	110.0150	1.318	2	110.0150	1.737	2	110.0150	1.737	2	110.0150	1.737	2	105.5639	36.538	12	105.5639	36.538	12
992	643	992	0:SP3_SP2_SP3	P	C[6a]	P	3:4:3:1:	3:3:4:	3:4:3:4:	C[6a]-3:P-4:N-3:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:N-3:C-4:	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)(S)	C[6a](C[6a]C[6a]H)2(PNPS)	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)(S)	C[6a](C[6a]C[6a]H)2(PNPS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	97.2356	1.083	2	97.2356	1.173	2	97.2356	1.173	2	97.2356	1.173	2	105.5639	36.538	12	105.5639	36.538	12
992	643	992	0:SP3_SP2_SP3	P	C[6a]	P	3:4:3:4:	3:3:4:	3:4:3:1:	C[6a]-3:P-4:N-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:N-3:S-1:	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	C[6a](C[6a]C[6a]H)2(PCNP)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)(S)	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	C[6a](C[6a]C[6a]H)2(PCNP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)(S)	115.2385	0.646	2	115.2385	0.417	2	115.2385	0.417	2	115.2385	0.417	2	105.5639	36.538	12	105.5639	36.538	12
992	643	992	0:SP3_SP2_SP3	P	C[6a]	P	3:4:4:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:C-4:S-1:	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	C[6a](C[6a]C[6a]H)2(PCPS)	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	C[6a](C[6a]C[6a]H)2(PCPS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	106.4430	0.000	1	106.4430	0.000	1	105.2055	3.063	2	105.2055	3.063	2	105.5639	36.538	12	105.5639	36.538	12
992	643	992	0:SP3_SP2_SP3	P	C[6a]	P	3:4:4:1:	3:3:4:	3:4:4:1:	C[6a]-3:P-4:C-4:S-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:P-4:C-4:S-1:	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	C[6a](C[6a]C[6a]H)2(PCPS)	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	C[6a](C[6a]C[6a]H)2(PCPS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	103.9680	0.000	1	103.9680	0.000	1	105.2055	3.063	2	105.2055	3.063	2	105.5639	36.538	12	105.5639	36.538	12
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:S[5a]-2:P-4:	P(C[5a]C[5a]S[5a])3(Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl)	P(C[5a]C[5a]S[5a])3(Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl){2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl){2|H<1>}	111.0793	1.456	3	111.0793	2.121	3	111.0793	2.121	3	107.5834	8.635	9	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:O[5a]-2:P-4:	P(C[5a]C[5a]O[5a])3(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O)	P(C[5a]C[5a]O[5a])3(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O){2|H<1>}	105.8030	1.592	3	105.8030	2.533	3	105.8030	2.533	3	107.5834	8.635	9	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:1:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:S[5a]-2:P-4:	P(C[5a]C[5a]S[5a])3(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O)	P(C[5a]C[5a]S[5a])3(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O){1|Br<1>,1|H<1>}	105.8680	1.544	3	105.8680	2.383	3	105.8680	2.383	3	107.5834	8.635	9	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:1:	3:3:4:	3:3:4:	C[5a]-3:C[5a]-3:C[6a]-3:S-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:P-4:	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	102.6860	0.000	1	102.6860	0.000	1	102.6860	0.000	1	102.6860	0.000	1	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:1:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	P-4:C[5a]-3:O[5a]-2:	P-4:C[5a]-3:O[5a]-2:	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	102.6087	0.237	3	102.6087	0.056	3	102.6087	0.056	3	102.6087	0.056	3	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:1:	4:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	P-4:N[5a]-3:C[5a]-3:	P-4:N[5a]-3:C[5a]-3:	P(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	P(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	107.1085	0.105	2	107.1085	0.011	2	107.1085	0.011	2	107.1085	0.011	2	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:S[5a]-2:P-4:	P(C[5a]C[5a]S[5a])4	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3)	P(C[5a]C[5a]S[5a])4	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3){2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3){2|H<1>}	109.4678	1.376	6	109.4678	1.892	6	109.4678	1.892	6	109.4678	1.892	6	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:4:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:O[5a]-2:P-4:	P(C[5a]C[5a]O[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C)	P(C[5a]C[5a]O[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C){2|H<1>}	109.4493	2.126	3	109.4493	4.518	3	109.4493	4.518	3	109.4493	4.518	3	107.4855	8.751	26	107.4855	8.751	26
992	727	727	0:SP3_SP2_SP2	P	C[5a]	C[5a]	3:3:3:4:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	P-4:C[5a]-3:O[5a]-2:	P-4:C[5a]-3:O[5a]-2:	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a])	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	108.2440	0.110	2	108.2440	0.012	2	108.2440	0.012	2	108.2440	0.012	2	107.4855	8.751	26	107.4855	8.751	26
992	727	790	0:SP3_SP-NON_SP2	P	C[5a]	Cl	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])3(Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl)	Cl(PC[5a]3)	P(C[5a]C[5a]S[5a])3(Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl){2|H<1>}	Cl(PC[5a]3)	107.8230	2.075	3	107.8230	4.304	3	107.8230	4.304	3	107.8230	4.304	3	107.8230	4.304	3	107.8230	4.304	3
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3){2|C<3>}	O(PC[5a]OO)	113.0090	0.000	1	113.0090	0.000	1	113.2290	0.097	2	114.3638	3.559	5	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3){1|H<1>,3|C<3>}	O(PC[5a]OO)	113.4490	0.000	1	113.4490	0.000	1	113.2290	0.097	2	114.3638	3.559	5	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	O(PC[5a]OO)	112.5610	0.000	1	112.5610	0.000	1	115.1203	4.923	3	114.3638	3.559	5	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3){1|C<3>}	O(PC[5a]OO)	116.2970	0.000	1	116.2970	0.000	1	115.1203	4.923	3	114.3638	3.559	5	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	O(PC[5a]OO)	116.5030	0.000	1	116.5030	0.000	1	115.1203	4.923	3	114.3638	3.559	5	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5,5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5,5a]N[5a])(OC)2(O)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)	P(C[5a]C[5,5a]N[5a])(OC)2(O)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3){3|C<3>}	O(PC[5a]OO)	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	O(PC[5a]OO)	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a,6a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3)	O(PC[5a]OO)	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	O(PC[5a]OO)	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3){1|C<3>,1|N<2>}	O(PC[5a]OO)	115.2030	0.000	1	115.2030	0.000	1	111.9197	3.211	6	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3){1|C<3>,1|H<1>}	O(PC[5a]OO)	111.4500	0.000	1	111.4500	0.000	1	111.9197	3.211	6	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){1|C<4>,2|C<3>}	O(PC[5a]OO)	109.8700	0.000	1	110.8470	0.720	3	111.9197	3.211	6	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	O(PC[5a]OO)	111.3355	0.088	2	110.8470	0.720	3	111.9197	3.211	6	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:3:4:	4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(OC[5])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3)	O(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC[5])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3){2|H<1>}	O(PC[5a]OO)	112.3240	0.000	1	112.3240	0.000	1	111.9197	3.211	6	111.9507	2.397	9	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:2:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C-2:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO)	O(PC[5a]C[6a]C)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO){1|C<4>}	O(PC[5a]C[6a]C)	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	112.5630	0.000	1	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	2:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	N[5a]-2:S[5a]-2:P-4:	P-4:	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(PC[6a]2O){2|C<3>}	O(PC[5a]C[6a]2)	109.3460	0.000	1	109.3460	0.000	1	109.4405	0.018	2	109.4405	0.018	2	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	2:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	N[5a]-2:S[5a]-2:P-4:	P-4:	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(PC[6a]2O){2|H<1>}	O(PC[5a]C[6a]2)	109.5350	0.000	1	109.5350	0.000	1	109.4405	0.018	2	109.4405	0.018	2	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a]-3:O[5a]-2:P-4:	P-4:	P(C[5a]C[5a]O[5a])3(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O)	O(PC[5a]3)	P(C[5a]C[5a]O[5a])3(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O){2|H<1>}	O(PC[5a]3)	112.9413	2.927	3	112.9413	8.570	3	112.9413	8.570	3	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])3(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O)	O(PC[5a]3)	P(C[5a]C[5a]S[5a])3(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O){1|Br<1>,1|H<1>}	O(PC[5a]3)	113.3665	2.077	2	113.3665	4.313	2	113.3665	4.313	2	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2O){1|C<3>,1|C<4>,1|N<3>}	O(PC[5a]C[6a]2)	110.7655	0.667	2	110.7655	0.445	2	111.2467	2.390	4	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O){1|C<3>,1|C<4>}	O(PC[5a]C[6a]2)	113.4310	0.000	1	113.4310	0.000	1	111.2467	2.390	4	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2O){1|C<4>}	O(PC[5a]C[6a]2)	110.0250	0.000	1	110.0250	0.000	1	111.2467	2.390	4	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:O[5a]-2:P-4:	P-4:	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O){4|C<3>}	O(PC[5a]C[6a]2)	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O){1|C<3>,1|H<1>}	O(PC[5a]C[6a]2)	112.7420	3.613	2	112.7420	13.056	2	112.7420	13.056	2	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	N[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2O){2|H<1>}	O(PC[5a]C[6a]2)	116.8310	0.000	1	116.8310	0.000	1	116.8310	0.000	1	112.6582	5.770	13	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O){2|C<3>,2|H<1>}	O(PC[5a]C[6a]2)	113.4630	0.000	1	113.4630	0.000	1	113.1835	0.793	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O){1|H<1>,2|C<3>}	O(PC[5a]C[6a]2)	111.8660	0.000	1	111.8660	0.000	1	113.1835	0.793	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	O(PC[5a]C[6a]2)	113.7025	0.158	2	113.7025	0.025	2	113.1835	0.793	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O){1|H<1>,1|O<2>}	O(PC[5a]C[6a]2)	112.5120	0.000	1	112.5120	0.000	1	112.2477	0.071	3	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	O(PC[5a]C[6a]2)	111.9790	0.000	1	111.9790	0.000	1	112.2477	0.071	3	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	112.2520	0.000	1	112.2520	0.000	1	112.2477	0.071	3	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O){2|C<3>}	O(PC[5a]C[6a]2)	108.7690	0.000	1	108.7690	0.000	1	111.5613	5.478	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O){4|C<3>}	O(PC[5a]C[6a]2)	113.4680	0.000	1	113.4680	0.000	1	111.5613	5.478	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O){1|C<4>,1|H<1>}	O(PC[5a]C[6a]2)	110.4860	0.000	1	110.4860	0.000	1	111.5613	5.478	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O){1|C<3>}	O(PC[5a]C[6a]2)	113.5220	0.000	1	113.5220	0.000	1	111.5613	5.478	4	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O)	O(PC[5a]C[6a]2)	P(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O){1|H<1>,2|C<3>}	O(PC[5a]C[6a]2)	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	112.2207	2.371	12	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	4:3:2:	4:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	P-4:C[5a]-3:O[5a]-2:	P-4:	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	O(PC[5a]2C[6a])	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	O(PC[5a]2C[6a])	111.6528	1.043	6	111.6528	1.088	6	111.6528	1.088	6	111.6528	1.088	6	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:3:3:1:	4:3:3:	4:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	P-4:N[5a]-3:C[5a]-3:	P-4:	P(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	O(PC[5a]2C[6a])	P(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	O(PC[5a]2C[6a])	110.7045	0.639	4	110.7045	0.408	4	110.7045	0.408	4	110.7045	0.408	4	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:H-1:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO)	O(PC[5a]CH)	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO){1|H<1>,1|N<3>}	O(PC[5a]CH)	115.2950	0.000	1	115.2950	0.000	1	115.2950	0.000	1	115.0145	0.157	2	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:H-1:O-1:	N[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]N[5a]2)(CC3)(H)(O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO)	O(PC[5a]CH)	P(C[5a]N[5a]2)(CC3)(H)(O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO){2|C<3>,2|H<1>}	O(PC[5a]CH)	114.7340	0.000	1	114.7340	0.000	1	114.7340	0.000	1	115.0145	0.157	2	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:4:1:1:	3:3:4:	4:	C[5a]-3:C-4:H-1:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO)	O(PC[5a]CH)	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO){2|C<3>}	O(PC[5a]CH)	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:4:2:1:	3:3:4:	4:	C[5a]-3:C-4:O-2:O-1:	N[5a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO)	O(PC[5a]CO)	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO){4|C<3>}	O(PC[5a]CO)	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:4:4:1:	3:2:4:	4:	C[5a]-3:C-4:C-4:O-1:	N[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]N[5a]2)(CC3)2(O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO)	O(PC[5a]CC)	P(C[5a]N[5a]2)(CC3)2(O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCCO){2|C<3>,2|H<1>}	O(PC[5a]CC)	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	112.4008	3.705	58	112.4008	3.705	58
992	727	863	0:SP3_SP2_SP2	P	C[5a]	O	3:4:4:1:	3:3:4:	4:	C[5a]-3:C[6]-4:C[6]-4:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6]C[6]2H)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O)	O(PC[5a]C[6]2)	P(C[5a]C[5a]N[5a])(C[6]C[6]2H)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O){4|C<3>}	O(PC[5a]C[6]2)	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	112.9460	0.000	1	112.4008	3.705	58	112.4008	3.705	58
992	727	893	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	3:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:S[5a]-2:P-4:	C[6a]-3:P-4:	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	O(C[6a]C[6a]2)(PC[5a]OO)	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[5a]OO)	103.8385	4.526	2	103.8385	20.486	2	103.8385	20.486	2	104.0718	10.511	4	104.0718	10.511	4	104.0718	10.511	4
992	727	893	0:SP3_SP2_SP2	P	C[5a]	O	3:2:2:1:	3:2:4:	3:4:	C[5a]-3:O-2:O-2:Se-1:	C[5a]-3:S[5a]-2:P-4:	C[6a]-3:P-4:	P(C[5a]C[5a]S[5a])(OC[6a])2(Se)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO)	O(C[6a]C[6a]2)(PC[5a]SeO)	P(C[5a]C[5a]S[5a])(OC[6a])2(Se)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO){1|C<3>,1|H<1>}	O(C[6a]C[6a]2)(PC[5a]SeO)	104.3050	3.291	2	104.3050	10.830	2	104.3050	10.830	2	104.0718	10.511	4	104.0718	10.511	4	104.0718	10.511	4
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3){2|C<3>}	O(PC[5a]OO)(CH3)	104.6085	4.055	2	104.6085	16.445	2	104.9818	12.623	4	104.4364	14.033	8	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3){1|H<1>,3|C<3>}	O(PC[5a]OO)(CH3)	105.3550	4.568	2	105.3550	20.866	2	104.9818	12.623	4	104.4364	14.033	8	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:C-4:	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	O(PC[5a]OO)(CCHH)	104.1795	4.115	2	104.1795	16.930	2	103.8911	19.328	4	104.4364	14.033	8	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:C-4:	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3){1|C<3>}	O(PC[5a]OO)(CH3)	103.6027	6.381	2	103.6027	40.722	2	103.8911	19.328	4	104.4364	14.033	8	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5,5a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5,5a]N[5a])(OC)2(O)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5,5a]N[5a])(OC)2(O)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3){3|C<3>}	O(PC[5a]OO)(CH3)	106.4855	0.921	2	106.4855	0.849	2	106.4855	0.849	2	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	O(PC[5a]OO)(CCHH)	106.2475	2.153	2	106.2475	4.636	2	106.2475	4.636	2	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a,6a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	O(PC[5a]OO)(CH3)	105.3355	2.143	2	105.3355	4.593	2	105.3355	4.593	2	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	C[5]-4:P-4:	P(C[5a]C[5a]N[5a])(OC[5])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3)	O(C[5]C[5]2Fe)(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC[5])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3){2|H<1>}	O(C[5]C[5]2Fe)(PC[5a]OO)	109.1040	0.823	2	109.1040	0.677	2	109.1040	0.677	2	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3){1|C<3>,1|N<2>}	O(PC[5a]OO)(CCHH)	103.8090	4.718	2	103.8090	22.258	2	105.5182	10.860	10	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3){1|C<3>,1|H<1>}	O(PC[5a]OO)(CCHH)	106.6415	0.752	2	106.6415	0.565	2	105.5182	10.860	10	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	O(PC[5a]OO)(CCHH)	104.7920	4.101	2	104.7920	16.820	2	105.5182	10.860	10	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){1|C<4>,2|C<3>}	O(PC[5a]OO)(CH3)	106.7795	4.376	2	106.1743	15.652	4	105.5182	10.860	10	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:1:	3:3:4:	4:4:	C[5a]-3:O-2:O-2:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	O(PC[5a]OO)(CH3)	105.5690	5.132	2	106.1743	15.652	4	105.5182	10.860	10	106.0848	7.732	18	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:2:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-2:	C[5a]-3:N[5a]-2:P-4:	B-4:P-4:	P(C[5a]C[5a]N[5a])(OB)(OC)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	O(BC[6a]2O)(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OB)(OC)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	O(BC[6a]2O)(PC[5a]OO)	107.4615	0.306	2	107.4615	0.094	2	107.6820	0.319	6	108.8624	2.578	12	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:2:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-2:	C[5a]-3:N[5a]-2:P-4:	B-4:P-4:	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	O(BC[6a]2N[5a])(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	O(BC[6a]2N[5a])(PC[5a]OO)	108.3550	0.287	2	108.3550	0.082	2	107.6820	0.319	6	108.8624	2.578	12	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:2:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-2:	C[5a]-3:N[5a]-2:P-4:	B-4:P-4:	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	O(BC[6a]2O)(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	O(BC[6a]2O)(PC[5a]OO)	107.2295	0.080	2	107.2295	0.006	2	107.6820	0.319	6	108.8624	2.578	12	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:2:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-2:	C[5a]-3:N[5a]-2:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OB)(OC)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]N[5a])(OB)(OC)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	O(PC[5a]OO)(CCHH)	110.8270	0.931	4	110.8270	0.867	4	110.0428	2.008	6	108.8624	2.578	12	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:2:	3:2:4:	4:4:	C[5a]-3:O-2:O-2:O-2:	C[5a]-3:N[5a]-2:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	O(PC[5a]OO)(CCHH)	108.4745	0.240	2	108.4745	0.057	2	110.0428	2.008	6	108.8624	2.578	12	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:2:2:2:	3:3:4:	4:4:	C[5a]-3:S-2:O-2:O-2:	N[5a]-3:C[5a]-3:P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(SPd)(OC)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(POOS)	O(PC[5a]OS)(CCHH)	P(C[5a]C[5a]N[5a])(SPd)(OC)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(POOS){1|H<1>,1|P<4>}	O(PC[5a]OS)(CCHH)	109.4333	3.160	4	109.4333	9.984	4	109.4333	9.984	4	109.4333	9.984	4	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:P-4:	B-4:P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	112.4740	0.604	2	112.8982	0.655	5	112.8982	0.655	5	112.8982	0.655	5	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:P-4:	B-4:P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	113.9740	0.000	1	112.8982	0.655	5	112.8982	0.655	5	112.8982	0.655	5	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:3:3:2:	3:3:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:P-4:	B-4:P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|S<2>,2|C<3>}	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	112.7845	0.845	2	112.8982	0.655	5	112.8982	0.655	5	112.8982	0.655	5	107.4512	12.688	48	107.4512	12.688	48
992	727	893	0:SP3_SP2_SP3	P	C[5a]	O	3:4:2:1:	3:3:4:	4:1:	C[5a]-3:C-4:O-2:O-1:	N[5a]-3:C[5a]-3:P-4:	P-4:H-1:	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO)	O(PC[5a]CO)(H)	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO){4|C<3>}	O(PC[5a]CO)(H)	104.0680	0.000	1	104.0680	0.000	1	104.0680	0.000	1	104.0680	0.000	1	107.4512	12.688	48	107.4512	12.688	48
992	727	941	0:SP3_SP2_SP2	P	C[5a]	N	3:2:4:4:	3:3:4:	3:4:	C[5a]-3:N-2:C-4:C-4:	C[5a]-3:N[5a]-3:P-4:	C[6a]-3:P-4:	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PCCN)	N(C[6a]C[6a]2)(PC[5a]CC)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(PC[5a]CC)	109.3618	2.985	4	109.3618	8.909	4	109.3618	8.909	4	106.8807	18.364	7	107.0962	16.112	8	107.0962	16.112	8
992	727	941	0:SP3_SP2_SP2	P	C[5a]	N	3:2:4:4:	3:3:4:	3:4:	C[5a]-3:N-2:C-4:C-4:	N[5a]-3:C[5a]-3:P-4:	C[6a]-3:P-4:	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN)	N(C[6a]C[6a]2)(PC[5a]CC)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(PC[5a]CC)	107.7110	0.000	1	107.7110	0.000	1	103.5727	13.001	3	106.8807	18.364	7	107.0962	16.112	8	107.0962	16.112	8
992	727	941	0:SP3_SP2_SP2	P	C[5a]	N	3:2:4:4:	3:3:4:	3:4:	C[5a]-3:N-2:C-4:C-4:	N[5a]-3:C[5a]-3:P-4:	C[6a]-3:P-4:	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](N[5a]C[5a]Ga)(C[5a]C[5a]H)(PCCN)	N(C[6a]C[6a]2)(PC[5a]CC)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](N[5a]C[5a]Ga)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(PC[5a]CC)	101.5035	0.559	2	101.5035	0.313	2	103.5727	13.001	3	106.8807	18.364	7	107.0962	16.112	8	107.0962	16.112	8
992	727	941	0:SP3_SP2_SP2	P	C[5a]	N	3:3:3:2:	2:2:4:	4:4:	C[5a]-3:C[6a]-3:C[6a]-3:N-2:	N[5a]-2:S[5a]-2:P-4:	P-4:P-4:	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	C[5a](N[5a]N[5a])(S[5a]C[5a])(PC[6a]2N)	N(PC[5a]C[6a]2)(PO3)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	C[5a](N[5a]N[5a])(S[5a]C[5a])(PC[6a]2N){1|N<3>}	N(PC[5a]C[6a]2)(PO3)	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	107.0962	16.112	8	107.0962	16.112	8
992	727	951	0:SP3_SP-NON_SP2	P	C[5a]	H	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H)	H(PC[5a]C[6a]2)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(PC[6a]2H){2|C<3>}	H(PC[5a]C[6a]2)	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	105.1219	117.876	4	105.1219	117.876	4
992	727	951	0:SP3_SP-NON_SP2	P	C[5a]	H	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:H-1:O-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO)	H(PC[5a]CO)	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO){1|H<1>,1|N<3>}	H(PC[5a]CO)	99.5607	0.000	1	99.5607	0.000	1	99.5607	0.000	1	99.9848	0.360	2	105.1219	117.876	4	105.1219	117.876	4
992	727	951	0:SP3_SP-NON_SP2	P	C[5a]	H	3:4:1:1:	3:2:4:	4:	C[5a]-3:C-4:H-1:O-1:	N[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]N[5a]2)(CC3)(H)(O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO)	H(PC[5a]CO)	P(C[5a]N[5a]2)(CC3)(H)(O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCHO){2|C<3>,2|H<1>}	H(PC[5a]CO)	100.4090	0.000	1	100.4090	0.000	1	100.4090	0.000	1	99.9848	0.360	2	105.1219	117.876	4	105.1219	117.876	4
992	727	951	0:SP3_SP-NON_SP2	P	C[5a]	H	3:4:1:1:	3:3:4:	4:	C[5a]-3:C-4:H-1:O-1:	C[5a]-3:N[5a]-3:P-4:	P-4:	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO)	H(PC[5a]CO)	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO){2|C<3>}	H(PC[5a]CO)	99.1299	0.000	1	99.1299	0.000	1	99.1299	0.000	1	99.1299	0.000	1	105.1219	117.876	4	105.1219	117.876	4
992	727	956	0:SP3_SP2_SP2	P	C[5a]	N	3:3:4:4:	3:3:4:	3:4:3:	C[5a]-3:N-3:C-4:C-4:	N[5a]-3:C[5a]-3:P-4:	C[6a]-3:P-4:B-3:	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(PCCN)	N(C[6a]C[6a]2)(PC[5a]CC)(BC[6a]Rh)	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	N(C[6a]C[6a]2)(PC[5a]CC)(BC[6a]Rh)	110.1500	0.082	2	110.1500	0.007	2	110.1500	0.007	2	110.1500	0.007	2	110.1500	0.007	2	110.1500	0.007	2
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2S)	S(PC[5a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2S){1|Ir<6>}	S(PC[5a]C[6a]2)	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	113.2776	1.526	8	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a]-3:O[5a]-2:P-4:	P-4:	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	S(PC[5a]C[6a]2)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	S(PC[5a]C[6a]2)	112.8344	0.831	5	112.8344	0.690	5	112.8344	0.690	5	113.2776	1.526	8	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a]-3:S[5a]-2:P-4:	P-4:	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S)	S(PC[5a]C[6a]2)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S){1|B<3>,1|H<1>}	S(PC[5a]C[6a]2)	112.1530	0.000	1	112.1530	0.000	1	112.1530	0.000	1	113.2776	1.526	8	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:2:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	N[5a]-3:N[5a]-2:P-4:	P-4:	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(S)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S)	S(PC[5a]C[6a]2)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(S)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2S){2|H<1>}	S(PC[5a]C[6a]2)	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	113.2776	1.526	8	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[5a]-3:C[6a]-3:S-1:	C[5a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	S(PC[5a]2C[6a])	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	S(PC[5a]2C[6a])	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	112.8823	4.984	3	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S)	S(PC[5a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S){1|H<1>,5|C<3>}	S(PC[5a]C[6a]2)	111.5590	0.000	1	111.5590	0.000	1	111.5590	0.000	1	112.8823	4.984	3	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:3:3:1:	3:3:4:	4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a]-3:C[5a]-3:P-4:	P-4:	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S)	S(PC[5a]C[6a]2)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S){1|C<4>,1|H<1>}	S(PC[5a]C[6a]2)	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	112.8823	4.984	3	113.1901	1.914	12	113.1901	1.914	12
992	727	977	0:SP3_SP-NON_SP2	P	C[5a]	S	3:4:4:1:	3:2:4:	4:	C[5a]-3:C[6]-4:C[6]-4:S-1:	C[5a]-3:O[5a]-2:P-4:	P-4:	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S)	S(PC[5a]C[6]2)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S){4|C<3>}	S(PC[5a]C[6]2)	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	113.1901	1.914	12	113.1901	1.914	12
992	727	983	0:SP3_SP1_SP2	P	C[5a]	C	3:3:2:1:	3:2:4:	4:2:	C[5a]-3:C[6a]-3:C-2:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:C-2:	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO)	C(PC[5a]C[6a]O)(CH)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO){1|C<4>}	C(PC[5a]C[6a]O)(CH)	102.1940	0.000	1	102.1940	0.000	1	102.1940	0.000	1	102.1940	0.000	1	102.1940	0.000	1	102.1940	0.000	1
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	107.2453	1.675	3	107.2453	2.805	3	105.3281	3.007	30	105.2967	3.362	39	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	105.2830	0.399	3	105.2830	0.159	3	105.3281	3.007	30	105.2967	3.362	39	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	105.5582	1.226	21	105.5582	1.502	21	105.3281	3.007	30	105.2967	3.362	39	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	101.8450	1.161	3	101.8450	1.349	3	105.3281	3.007	30	105.2967	3.362	39	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:S-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])3(S)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S)	P(C[6]C[6]N[6])3(S)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S){1|C<3>,2|H<1>}	105.1919	2.247	9	105.1919	5.051	9	105.1919	5.051	9	105.2967	3.362	39	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:O-1:	P-4:N[6]-3:C[6]-3:	P-4:N[6]-3:C[6]-3:	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	105.2147	0.266	3	105.2147	0.071	3	105.2147	0.071	3	105.2147	0.071	3	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:2:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:S-2:	P-4:C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	109.0860	0.000	1	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:3:	2:2:4:	2:2:4:	C[6]-3:C[6]-3:C[6]-3:C[6]-3:	C[6]-2:C[6]-2:P-4:	C[6]-2:C[6]-2:P-4:	P(C[6]C[6]2)4	C[6](C[6]C[6])2(PC[6]3)	C[6](C[6]C[6])2(PC[6]3)	P(C[6]C[6]2)4	C[6](C[6]C[6])2(PC[6]3){1|C<2>}	C[6](C[6]C[6])2(PC[6]3){1|C<2>}	109.4736	2.480	24	109.4736	6.151	24	109.4736	6.151	24	109.4736	6.151	24	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:3:	4:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	P-4:C[6]-3:C[6]-3:	P(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6])	C[6](PC[6a]2C[6])(C[6]C[6]H)2	P(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](PC[6a]2C[6])(C[6]C[6]H)2{1|C<2>,1|H<1>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:3:4:	4:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	P-4:N[6]-3:C[6]-3:	P-4:N[6]-3:C[6]-3:	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])2(CCHH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	P(C[6]C[6]N[6])2(CCHH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	107.4532	1.894	6	107.4532	3.588	6	107.0581	3.107	9	107.0581	3.107	9	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	106.7315	1.678	2	106.7315	2.816	2	107.0581	3.107	9	107.0581	3.107	9	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	3:3:4:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:O-1:	N[6]-3:C[6]-3:P-4:	N[6]-3:C[6]-3:P-4:	P(C[6]C[6]N[6])2(CH3)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	P(C[6]C[6]N[6])2(CH3)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	105.3410	0.000	1	105.3410	0.000	1	107.0581	3.107	9	107.0581	3.107	9	106.9356	7.421	79	106.9356	7.421	79
992	762	762	0:SP3_SP2_SP2	P	C[6]	C[6]	4:3:3:2:	4:3:3:	4:3:3:	C[5]-4:C[6]-3:C[6]-3:O-2:	P-4:C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-3:	P(C[5]C[5]2Fe)(C[6]C[6]2)2(OSn)	C[6](PC[5]C[6]O)(C[6]C[6]H)2	C[6](PC[5]C[6]O)(C[6]C[6]H)2	P(C[5]C[5]2Fe)(C[6]C[6]2)2(OSn)	C[6](PC[5]C[6]O)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](PC[5]C[6]O)(C[6]C[6]H)2{1|C<2>,2|H<1>}	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	106.9356	7.421	79	106.9356	7.421	79
992	762	830	0:SP3_SP-NON_SP2	P	C[6]	F	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:F-1:	C[6]-3:N[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(F)	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F)	F(PC[6a]2C[6])	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(F)	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F){1|C<3>,2|H<1>}	F(PC[6a]2C[6])	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1	106.7450	0.000	1
992	762	863	0:SP3_SP2_SP2	P	C[6,6]	O	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6a]-3:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-3:P-4:	P-4:	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	O(PC[6,6]C[6a]2)	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	O(PC[6,6]C[6a]2)	114.4270	0.000	1	114.4270	0.000	1	110.8823	10.245	7	110.8823	10.245	7	110.8823	10.245	7	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6,6]	O	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6a]-3:C[6a]-3:O-1:	C[3x6]-4:C[6,6]-3:P-4:	P-4:	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O)	O(PC[6,6]C[6a]2)	P(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(PC[6a]2O){1|H<1>,4|C<3>}	O(PC[6,6]C[6a]2)	110.2915	3.060	6	110.2915	9.362	6	110.8823	10.245	7	110.8823	10.245	7	110.8823	10.245	7	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)	107.6495	4.980	2	107.6495	24.802	2	107.3930	4.049	10	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	O(PC[6]OO)	107.1930	2.077	2	107.3289	1.639	8	107.3930	4.049	10	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)	107.4645	0.947	4	107.3289	1.639	8	107.3930	4.049	10	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	O(PC[6]OO)	107.1935	2.080	2	107.3289	1.639	8	107.3930	4.049	10	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)	106.8427	3.976	4	106.8427	15.807	4	106.6306	5.364	14	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	O(PC[6]OO)	106.6995	1.542	4	106.5457	2.450	10	106.6306	5.364	14	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	O(PC[6]OO)	106.9140	2.615	2	106.5457	2.450	10	106.6306	5.364	14	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:1:1:	3:3:4:	4:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	O(PC[6]OO)	106.2078	1.556	4	106.5457	2.450	10	106.6306	5.364	14	106.9482	4.764	24	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:2:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:O[6]-2:P-4:	P-4:	P(C[6]C[6]O[6])(OC)2(O)	C[6](C[6]C[6]H)(O[6]C[6])(PO3)	O(PC[6]OO)	P(C[6]C[6]O[6])(OC)2(O)	C[6](C[6]C[6]H)(O[6]C[6])(PO3){1|C<3>,2|C<4>,2|H<1>}	O(PC[6]OO)	112.7310	0.000	1	112.7310	0.000	1	112.7310	0.000	1	112.7310	0.000	1	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[5a,6]-3:C[5a,6]-3:P-4:	P-4:	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	O(PC[6]OO)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	O(PC[6]OO)	112.7650	0.000	1	112.7650	0.000	1	112.7650	0.000	1	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[5a,6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[5a,6]C[6])(OC)2(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	O(PC[6]OO)	P(C[6]C[5a,6]C[6])(OC)2(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	O(PC[6]OO)	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6,6a]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6,6a]C[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	O(PC[6]OO)	P(C[6]C[6,6a]C[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	O(PC[6]OO)	115.5220	0.000	1	115.5220	0.000	1	115.5220	0.000	1	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OC)2(O)	C[6](C[6]C[6]H)2(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OC)2(O)	C[6](C[6]C[6]H)2(PO3){1|N<3>,2|H<1>}	O(PC[6]OO)	112.9960	0.000	1	112.9960	0.000	1	109.9052	2.264	13	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	O(PC[6]OO)	108.3850	0.000	1	108.9745	0.695	2	109.9052	2.264	13	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)	109.5640	0.000	1	108.9745	0.695	2	109.9052	2.264	13	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	O(PC[6]OO)	109.4589	0.839	9	109.7822	1.671	10	109.9052	2.264	13	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3)	O(PC[6]OO)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	O(PC[6]OO)	112.6920	0.000	1	109.7822	1.671	10	109.9052	2.264	13	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:2:2:1:	3:3:4:	4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:N[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])(OCo)(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3)	O(PC[6]OO)	P(C[6]C[6]N[6])(OCo)(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)	109.0250	0.000	1	109.0250	0.000	1	109.0250	0.000	1	110.8648	8.001	17	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:2:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)2(PC[6a]NO)	O(PC[6a]C[6]N)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)2(PC[6a]NO){1|C<2>,2|H<1>}	O(PC[6a]C[6]N)	111.0200	0.054	2	111.0200	0.003	2	111.0200	0.003	2	111.0200	0.003	2	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O)	O(PC[6]3)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	O(PC[6]3)	111.6130	0.400	3	111.6130	0.160	3	113.3296	1.814	28	113.3673	1.790	29	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O)	O(PC[6]3)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	O(PC[6]3)	113.3907	0.997	3	113.3907	0.994	3	113.3296	1.814	28	113.3673	1.790	29	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O)	O(PC[6]3)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	O(PC[6]3)	113.1222	0.524	19	113.1222	0.275	19	113.3296	1.814	28	113.3673	1.790	29	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O)	O(PC[6]3)	P(C[6]C[6]N[6])3(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	O(PC[6]3)	116.2990	1.674	3	116.2990	2.804	3	113.3296	1.814	28	113.3673	1.790	29	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O)	O(PC[6a]2C[6])	P(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	O(PC[6a]2C[6])	114.4210	0.000	1	114.4210	0.000	1	114.4210	0.000	1	113.3673	1.790	29	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:4:2:	4:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6]-3:P-4:C[6]-2:	P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6])	O(PC[6a]2C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	O(PC[6a]2C[6])	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:4:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:O-1:	C[5,6]-3:C[6]-4:P-4:	P-4:	P(C[6]C[5,6]C[6])(C[6a]C[6a]2)2(O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O)	O(PC[6a]2C[6])	P(C[6]C[5,6]C[6])(C[6a]C[6a]2)2(O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	O(PC[6a]2C[6])	114.8090	0.000	1	114.8090	0.000	1	114.8090	0.000	1	115.2625	2.090	4	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:4:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-4:P-4:	P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)	O(PC[6a]2C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O){2|H<1>,4|C<3>}	O(PC[6a]2C[6])	116.6330	0.000	1	116.6330	0.000	1	115.4137	2.997	3	115.2625	2.090	4	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	3:4:4:	4:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-4:P-4:	P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O)	O(PC[6a]2C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]HH)(PC[6a]2O){4|C<3>}	O(PC[6a]2C[6])	114.8040	1.940	2	114.8040	3.765	2	115.4137	2.997	3	115.2625	2.090	4	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:C[6]-3:O-1:	P-4:N[6]-3:C[6]-3:	P-4:	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	O(PC[6a]C[6]2)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	O(PC[6a]C[6]2)	112.2358	0.264	6	112.2358	0.070	6	112.2358	0.070	6	112.2358	0.070	6	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])2(CCHH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	O(PC[6]2C)	P(C[6]C[6]N[6])2(CCHH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	O(PC[6]2C)	111.2000	1.143	12	111.2000	1.307	12	111.2643	0.949	18	111.2643	0.949	18	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	O(PC[6]2C)	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	O(PC[6]2C)	111.2763	0.577	4	111.2763	0.332	4	111.2643	0.949	18	111.2643	0.949	18	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6]-3:C-4:O-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])2(CH3)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	O(PC[6]2C)	P(C[6]C[6]N[6])2(CH3)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	O(PC[6]2C)	111.6265	0.672	2	111.6265	0.452	2	111.2643	0.949	18	111.2643	0.949	18	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:4:2:1:	4:3:4:	4:	C[6]-3:C-4:O-2:O-1:	C[6]-4:C[6]-3:P-4:	P-4:	P(C[6]C[6]2)(CCHN)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO)	O(PC[6]CO)	P(C[6]C[6]2)(CCHN)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO){1|N<3>,4|H<1>}	O(PC[6]CO)	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	112.8390	0.000	1	111.0501	9.340	104	111.0395	9.307	111
992	762	863	0:SP3_SP2_SP2	P	C[6]	O	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:C[6]-3:O-1:	P-4:C[6]-3:C[6]-3:	P-4:	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	C[6](PC[6a]C[6]O)(C[6]C[6]H)2	O(PC[6a]C[6]2)	P(C[6a]C[6a]2)(C[6]O[6]2H)(C[6]C[6]2)(O)	C[6](PC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>,1|H<1>}	O(PC[6a]C[6]2)	112.9550	0.000	1	112.9550	0.000	1	112.9550	0.000	1	112.9550	0.000	1	111.0501	9.340	104	111.0395	9.307	111
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)(H)	104.8360	0.000	1	104.8360	0.000	1	104.8072	1.396	5	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	O(PC[6]OO)(H)	106.7570	0.000	1	104.8000	1.860	4	104.8072	1.396	5	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)(H)	103.8675	0.060	2	104.8000	1.860	4	104.8072	1.396	5	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	O(PC[6]OO)(H)	104.7080	0.000	1	104.8000	1.860	4	104.8072	1.396	5	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)(H)	102.2286	3.185	2	102.2286	10.146	2	103.4288	2.458	7	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	O(PC[6]OO)(H)	103.6795	0.134	2	103.9088	0.143	5	103.4288	2.458	7	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	O(PC[6]OO)(H)	103.8000	0.000	1	103.9088	0.143	5	103.4288	2.458	7	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:1:1:	3:3:4:	4:1:	C[6]-3:O-2:O-1:O-1:	C[6]-3:N[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OH)(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	O(PC[6]OO)(H)	104.1925	0.524	2	103.9088	0.143	5	103.4288	2.458	7	104.0031	2.352	12	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:2:4:	4:4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:O[6]-2:P-4:	P-4:C-4:	P(C[6]C[6]O[6])(OC)2(O)	C[6](C[6]C[6]H)(O[6]C[6])(PO3)	O(PC[6]OO)(CH3)	P(C[6]C[6]O[6])(OC)2(O)	C[6](C[6]C[6]H)(O[6]C[6])(PO3){1|C<3>,2|C<4>,2|H<1>}	O(PC[6]OO)(CH3)	104.5825	3.354	2	104.5825	11.248	2	104.5825	11.248	2	104.5825	11.248	2	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:1:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	O(PC[6]OO)(H)	105.6065	0.023	2	104.8432	0.979	4	105.1338	5.842	22	104.9973	6.005	23	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:1:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)(H)	104.0800	0.778	2	104.8432	0.979	4	105.1338	5.842	22	104.9973	6.005	23	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:1:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	O(PC[6]OO)(H)	105.4354	2.676	16	105.1984	7.020	18	105.1338	5.842	22	104.9973	6.005	23	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:1:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)2(O)	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	O(PC[6]OO)(H)	103.3025	1.958	2	105.1984	7.020	18	105.1338	5.842	22	104.9973	6.005	23	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:1:	C[6]-3:O-2:O-2:O-1:	C[6]-3:N[6]-3:P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OCo)(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OCo)(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3){1|C<3>,2|H<1>}	O(PC[6]OO)(H)	101.9940	0.000	1	101.9940	0.000	1	101.9940	0.000	1	104.9973	6.005	23	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:4:	C[6]-3:O-2:O-2:O-1:	C[5a,6]-3:C[5a,6]-3:P-4:	P-4:C-4:	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	O(PC[6]OO)(CCHH)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	O(PC[6]OO)(CCHH)	103.6610	0.000	1	103.6610	0.000	1	103.6610	0.000	1	103.4738	13.225	7	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:4:	C[6]-3:O-2:O-2:O-1:	C[5a,6]-3:C[6]-3:P-4:	P-4:C-4:	P(C[6]C[5a,6]C[6])(OC)2(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	O(PC[6]OO)(CH3)	P(C[6]C[5a,6]C[6])(OC)2(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	O(PC[6]OO)(CH3)	101.1310	1.178	2	101.1310	1.388	2	101.1310	1.388	2	103.4738	13.225	7	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:4:	C[6]-3:O-2:O-2:O-1:	C[6,6a]-3:C[6]-3:P-4:	P-4:C-4:	P(C[6]C[6,6a]C[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	O(PC[6]OO)(CH3)	P(C[6]C[6,6a]C[6])(OC)2(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	O(PC[6]OO)(CH3)	106.2950	0.914	2	106.2950	0.835	2	106.2950	0.835	2	103.4738	13.225	7	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	4:4:	C[6]-3:O-2:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:C-4:	P(C[6]C[6]2)(OC)2(O)	C[6](C[6]C[6]H)2(PO3)	O(PC[6]OO)(CCHH)	P(C[6]C[6]2)(OC)2(O)	C[6](C[6]C[6]H)2(PO3){1|N<3>,2|H<1>}	O(PC[6]OO)(CCHH)	102.9018	7.039	2	102.9018	49.545	2	102.9018	49.545	2	103.4738	13.225	7	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:2:2:1:	3:3:4:	5:4:	C[6]-3:O-2:O-2:O-1:	C[5a,6]-3:C[5a,6]-3:P-4:	Ga[4x6]-5:P-4:	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	O(Ga[4x6]N[5a,6,6]4)(PC[6]OO)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	O(Ga[4x6]N[5a,6,6]4)(PC[6]OO)	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	104.5266	6.087	46	104.5266	6.087	46
992	762	893	0:SP3_SP2_SP3	P	C[6]	O	3:4:2:1:	4:3:4:	4:4:	C[6]-3:C-4:O-2:O-1:	C[6]-4:C[6]-3:P-4:	P-4:C-4:	P(C[6]C[6]2)(CCHN)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO)	O(PC[6]CO)(CCHH)	P(C[6]C[6]2)(CCHN)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(PCOO){1|N<3>,4|H<1>}	O(PC[6]CO)(CCHH)	104.2270	0.000	1	104.2270	0.000	1	104.2270	0.000	1	104.2270	0.000	1	104.5266	6.087	46	104.5266	6.087	46
992	762	909	0:SP3_SP2_SP2	P	C[6]	S	3:3:3:2:	4:3:3:	4:3:	C[6a]-3:C[6]-3:C[6]-3:S-2:	P-4:C[6]-3:C[6]-3:	P-4:C[6a]-3:	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	S(PC[6a]C[6]2)(C[6a]C[6a]2)	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	S(PC[6a]C[6]2)(C[6a]C[6a]2)	105.5730	7.449	2	105.5730	55.483	2	105.5730	55.483	2	105.5730	55.483	2	105.5730	55.483	2	105.5730	55.483	2
992	762	930	0:SP3_SP2_SP2	P	C[6]	C	3:3:3:2:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C-3:O-2:	C[6]-3:C[6]-3:P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	C[6](C[6]C[6]H)2(PC[6a]CO)	C(PC[6a]C[6]O)(CHP)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	C[6](C[6]C[6]H)2(PC[6a]CO){1|C<3>,1|H<1>}	C(PC[6a]C[6]O)(CHP)(H)	106.2840	0.000	1	106.2840	0.000	1	106.2840	0.000	1	106.2840	0.000	1	108.0270	6.076	2	108.0270	6.076	2
992	762	930	0:SP3_SP2_SP2	P	C[6]	C	3:4:4:3:	3:3:4:	4:1:1:	C[6]-3:C-4:C-4:C-3:	C[6]-3:C[6]-3:P-4:	P-4:H-1:H-1:	P(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3)	C(PC[6]CC)(H)2	P(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3){1|C<3>,2|H<1>}	C(PC[6]CC)(H)2	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	108.0270	6.076	2	108.0270	6.076	2
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:C[6]-3:N-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:C-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)2(PC[6a]NO)	N(PC[6a]C[6]O)(CC[6a]CH)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)2(PC[6a]NO){1|C<2>,2|H<1>}	N(PC[6a]C[6]O)(CC[6a]CH)	101.7855	0.202	2	101.7855	0.041	2	101.7855	0.041	2	101.7855	0.041	2	106.6967	12.427	11	106.6967	12.427	11
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:2:2:	3:3:4:	4:2:	C[6a]-3:C[6]-3:N-2:N-2:	C[6]-3:C[6]-3:P-4:	P-4:C-2:	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	C[6](C[6]C[6]H)2(PC[6a]NN)	N(PC[6a]C[6]N)(CN)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	C[6](C[6]C[6]H)2(PC[6a]NN){1|C<3>,1|H<1>}	N(PC[6a]C[6]N)(CN)	104.4690	0.598	2	104.4690	0.358	2	104.4690	0.358	2	104.4690	0.358	2	106.6967	12.427	11	106.6967	12.427	11
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:2:2:	4:3:2:	4:4:	C[6a]-3:C[6]-3:Se-2:N-2:	P-4:C[6]-3:C[6]-2:	P-4:P-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6])	N(PC[6a]C[6]Se)(PC[6a]2O)	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	N(PC[6a]C[6]Se)(PC[6a]2O)	105.6620	0.000	1	105.6620	0.000	1	105.6620	0.000	1	105.6620	0.000	1	106.6967	12.427	11	106.6967	12.427	11
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:3:2:	3:2:4:	4:3:	C[6]-3:N[5]-3:N-3:N-2:	C[6]-3:C[6]-2:P-4:	P-4:S[6]-3:	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN)	N(PC[6]N[5]N)(S[6]N[6]2)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN){1|C<3>,2|H<1>}	N(PC[6]N[5]N)(S[6]N[6]2)	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	106.6967	12.427	11	106.6967	12.427	11
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)2(PC[6a]2N)	N(PC[6a]2C[6])(PC[6a]3)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)2(PC[6a]2N){1|C<3>,1|H<1>}	N(PC[6a]2C[6])(PC[6a]3)	108.6910	0.000	2	108.6910	0.000	2	108.6910	0.000	2	108.6910	0.000	2	106.6967	12.427	11	106.6967	12.427	11
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:3:2:	3:4:2:	4:4:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6]-3:P-4:C[6]-2:	P-4:P-4:	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6])	N(PC[6a]2C[6])(PC[6a]3)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6]){1|C<3>,2|H<1>}	N(PC[6a]2C[6])(PC[6a]3)	107.3125	1.172	2	107.3125	1.373	2	107.3125	1.373	2	107.3125	1.373	2	106.6967	12.427	11	106.6967	12.427	11
992	762	941	0:SP3_SP2_SP2	P	C[6]	N	3:3:3:2:	4:2:4:	4:4:	C[6]-3:C[6a]-3:C[6a]-3:N-2:	P[6]-4:Ge[6]-2:P-4:	P-4:Si-4:	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	C[6](P[6]Ge[5,5,6]C[6a]2)(Ge[6]P[6])(PC[6a]2N)	N(PC[6a]2C[6])(SiC3)	P(C[6]Ge[6]P[6])(C[6a]C[6a]2)2(NSi)	C[6](P[6]Ge[5,5,6]C[6a]2)(Ge[6]P[6])(PC[6a]2N){1|Ge<3>,8|C<3>}	N(PC[6a]2C[6])(SiC3)	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	106.6967	12.427	11	106.6967	12.427	11
992	762	944	0:SP3_SP-NON_SP2	P	C[6]	I	3:3:4:1:	3:4:2:	4:	C[6a]-3:C[6]-3:C-4:I-1:	C[6]-3:P-4:C[6]-2:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6])	I(PC[6a]C[6]C)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6]){1|C<3>,2|H<1>}	I(PC[6a]C[6]C)	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1
992	762	951	0:SP3_SP-NON_SP2	P	C[6]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	H(PC[6a]2C[6])	P(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	H(PC[6a]2C[6])	102.6530	0.000	1	102.6530	0.000	1	102.6530	0.000	1	102.6530	0.000	1	102.6530	0.000	1	102.6530	0.000	1
992	762	956	0:SP3_SP2_SP2	P	C[6]	N	3:3:3:2:	3:2:4:	4:4:4:	C[6]-3:N[5]-3:N-3:N-2:	C[6]-3:C[6]-2:P-4:	C[6]-4:C[6]-4:P-4:	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN)	N(C[6]C[6]2H)2(PC[6]N[5]N)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN){1|C<3>,2|H<1>}	N(C[6]C[6]2H)2(PC[6]N[5]N)	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1
992	762	977	0:SP3_SP-NON_SP2	P	C[6]	S	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6]-3:C[6]-3:S-1:	N[6]-3:C[6]-3:P-4:	P-4:	P(C[6]C[6]N[6])3(S)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S)	S(PC[6]3)	P(C[6]C[6]N[6])3(S)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S){1|C<3>,2|H<1>}	S(PC[6]3)	113.4581	0.316	9	113.4581	0.100	9	113.4581	0.100	9	113.4581	0.100	9	114.0842	3.062	11	114.0842	3.062	11
992	762	977	0:SP3_SP-NON_SP2	P	C[6]	S	3:3:3:1:	4:4:2:	4:	C[6]-3:C[6a]-3:C[6a]-3:S-1:	P[6]-4:P-4:S[6]-2:	P-4:	P(C[6]P[6]S[6])(C[6a]C[6a]2)2(S)	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6])	S(PC[6a]2C[6])	P(C[6]P[6]S[6])(C[6a]C[6a]2)2(S)	C[6](P[6]C[6a]2S[6])(PC[6a]2S)(S[6]C[6]){2|P<4>,4|C<3>}	S(PC[6a]2C[6])	116.9015	3.228	2	116.9015	10.420	2	116.9015	10.420	2	116.9015	10.420	2	114.0842	3.062	11	114.0842	3.062	11
992	778	930	0:SP3_SP2_SPD5	P	C[3x3,4,3x5,14x6]	C	5:3:3:3:	6:6:6:6:4:	4:3:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P-4:	P-4:C[6a]-3:C-3:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CC[6a]C)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(PC[6a]2C)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CC[6a]C)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(PC[6a]2C){1|B<4>,1|B<6>,5|H<1>}	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	107.9065	0.967	2	107.9065	0.934	2	107.9065	0.934	2	107.9065	0.934	2	107.9065	0.934	2	107.9065	0.934	2
992	778	951	0:SP3_SP-NON_SPD5	P	C[3x3,3x5,12x6]	H	5:4:4:1:	6:6:5:5:4:	4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:P-4:	P-4:	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCCH)2(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(PCCH)	H(PC[3x3,3x5,12x6]CC)	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCCH)2(H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C)(PCCH){1|B<6>,6|H<1>}	H(PC[3x3,3x5,12x6]CC)	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1
992	778	977	0:SP3_SP-NON_SPD5	P	C[3x3,4,3x5,14x6]	S	5:3:3:1:	6:6:6:6:4:	4:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:S-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P-4:	P-4:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(S)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(PC[6a]2S)	S(PC[3x3,4,3x5,14x6]C[6a]2)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(S)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(PC[6a]2S){1|B<6>,1|S<2>,5|H<1>}	S(PC[3x3,4,3x5,14x6]C[6a]2)	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1
992	786	951	0:SP3_SP-NON_SP3	P	B[5]	H	4:3:1:1:	3:3:3:4:	4:	B[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-3:C[6a]-3:P-4:	P-4:	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	H(PC[6a]B[5]H)	P(B[5]C[6a]C[5]2)(C[6a]C[6a]2)(H)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	H(PC[6a]B[5]H)	116.9090	2.178	2	116.9090	4.743	2	116.9090	4.743	2	116.9090	4.743	2	113.7540	32.234	3	113.7540	32.234	3
992	786	951	0:SP3_SP-NON_SP3	P	B[5]	H	4:4:4:1:	3:3:4:1:	4:	B[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	P-4:	P(B[5]C[5,6a]2H)(CC3)2(H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	H(PB[5]CC)	P(B[5]C[5,6a]2H)(CC3)2(H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	H(PB[5]CC)	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	113.7540	32.234	3	113.7540	32.234	3
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(Cl)4	Cl(PCl3)	Cl(PCl3)	P(Cl)4	Cl(PCl3)	Cl(PCl3)	109.1935	1.011	4	109.1935	1.022	4	109.1935	1.022	4	107.5246	14.692	5	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	1:1:1:1:	4:	4:	Cl-1:Cl-1:O-1:O-1:	P-4:	P-4:	P(Cl)2(O)2	Cl(PClOO)	Cl(PClOO)	P(Cl)2(O)2	Cl(PClOO)	Cl(PClOO)	100.8490	0.000	1	100.8490	0.000	1	100.8490	0.000	1	107.5246	14.692	5	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(NC)(Cl)3	Cl(PCl2N)	Cl(PCl2N)	P(NC)(Cl)3	Cl(PCl2N)	Cl(PCl2N)	106.7203	0.734	10	106.7203	0.539	10	105.6375	1.741	79	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(NC[6])(Cl)3	Cl(PCl2N)	Cl(PCl2N)	P(NC[6])(Cl)3	Cl(PCl2N)	Cl(PCl2N)	104.9985	1.064	6	104.9985	1.132	6	105.6375	1.741	79	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(NC[6a])(Cl)3	Cl(PCl2N)	Cl(PCl2N)	P(NC[6a])(Cl)3	Cl(PCl2N)	Cl(PCl2N)	104.3558	0.814	20	104.3558	0.662	20	105.6375	1.741	79	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(NP)(Cl)3	Cl(PCl2N)	Cl(PCl2N)	P(NP)(Cl)3	Cl(PCl2N)	Cl(PCl2N)	106.1134	1.194	40	106.1134	1.425	40	105.6375	1.741	79	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(NP[6])(Cl)3	Cl(PCl2N)	Cl(PCl2N)	P(NP[6])(Cl)3	Cl(PCl2N)	Cl(PCl2N)	105.5057	0.697	3	105.5057	0.486	3	105.6375	1.741	79	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(NP)(Cl)2(O)	Cl(PClNO)	Cl(PClNO)	P(NP)(Cl)2(O)	Cl(PClNO)	Cl(PClNO)	102.0170	0.000	1	102.0170	0.000	1	102.0170	0.000	1	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:1:1:1:	4:	4:	O-2:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(OC[6a])(Cl)2(O)	Cl(PClOO)	Cl(PClOO)	P(OC[6a])(Cl)2(O)	Cl(PClOO)	Cl(PClOO)	104.6468	0.864	5	104.6468	0.747	5	104.6468	0.747	5	105.5366	1.856	85	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:2:1:1:	4:	4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NC)(NP)(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NC)(NP)(Cl)2	Cl(PClNN)	Cl(PClNN)	103.4370	0.051	2	103.4370	0.003	2	101.5808	1.627	25	101.5808	1.627	25	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:2:1:1:	4:	4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NC)2(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NC)2(Cl)2	Cl(PClNN)	Cl(PClNN)	101.6810	0.000	1	101.6810	0.000	1	101.5808	1.627	25	101.5808	1.627	25	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:2:1:1:	4:	4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NP)2(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NP)2(Cl)2	Cl(PClNN)	Cl(PClNN)	101.8741	1.046	15	101.8741	1.093	15	101.5808	1.627	25	101.5808	1.627	25	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:2:1:1:	4:	4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NP[5])2(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NP[5])2(Cl)2	Cl(PClNN)	Cl(PClNN)	100.0740	0.000	1	100.0740	0.000	1	101.5808	1.627	25	101.5808	1.627	25	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:2:1:1:	4:	4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NP[6])(NP)(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NP[6])(NP)(Cl)2	Cl(PClNN)	Cl(PClNN)	101.2857	0.884	3	101.2857	0.782	3	101.5808	1.627	25	101.5808	1.627	25	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:2:1:1:	4:	4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NP[6])2(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NP[6])2(Cl)2	Cl(PClNN)	Cl(PClNN)	99.6411	0.290	3	99.6411	0.084	3	101.5808	1.627	25	101.5808	1.627	25	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	2:3:1:1:	4:	4:	N-2:N-3:Cl-1:Cl-1:	P-4:	P-4:	P(NP[5])(NCC)(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NP[5])(NCC)(Cl)2	Cl(PClNN)	Cl(PClNN)	100.0880	0.000	1	100.0880	0.000	1	100.0880	0.000	1	100.0880	0.000	1	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(Cl)2(O)	Cl(PC[6a]ClO)	Cl(PC[6a]ClO)	P(C[6a]C[6a]2)(Cl)2(O)	Cl(PC[6a]ClO)	Cl(PC[6a]ClO)	103.3360	0.000	1	103.3360	0.000	1	103.3360	0.000	1	100.9594	4.293	3	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	3:1:1:1:	4:	4:	N-3:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(NCC)(Cl)2(O)	Cl(PClNO)	Cl(PClNO)	P(NCC)(Cl)2(O)	Cl(PClNO)	Cl(PClNO)	100.0090	0.000	1	100.0090	0.000	1	99.7712	0.113	2	100.9594	4.293	3	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	3:1:1:1:	4:	4:	N-3:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(NCH)(Cl)2(O)	Cl(PClNO)	Cl(PClNO)	P(NCH)(Cl)2(O)	Cl(PClNO)	Cl(PClNO)	99.5333	0.000	1	99.5333	0.000	1	99.7712	0.113	2	100.9594	4.293	3	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	3:2:1:1:	4:	4:	N-3:N-2:Cl-1:Cl-1:	P-4:	P-4:	P(NCC)(NP)(Cl)2	Cl(PClNN)	Cl(PClNN)	P(NCC)(NP)(Cl)2	Cl(PClNN)	Cl(PClNN)	99.9720	1.126	2	99.9720	1.267	2	99.9720	1.267	2	99.9720	1.267	2	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	3:4:1:1:	4:	4:	C-3:C-4:Cl-1:Cl-1:	P-4:	P-4:	P(CC[6a]C)(CC3)(Cl)2	Cl(PClCC)	Cl(PClCC)	P(CC[6a]C)(CC3)(Cl)2	Cl(PClCC)	Cl(PClCC)	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	104.7440	0.000	1	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:S-1:	P-4:	P-4:	P(CSi2H)(Cl)2(S)	Cl(PClCS)	Cl(PClCS)	P(CSi2H)(Cl)2(S)	Cl(PClCS)	Cl(PClCS)	98.0348	0.000	1	98.0348	0.000	1	98.0348	0.000	1	104.5872	17.811	11	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:Se-1:	P-4:	P-4:	P(CSi2H)(Cl)2(Se)	Cl(PClSeC)	Cl(PClSeC)	P(CSi2H)(Cl)2(Se)	Cl(PClSeC)	Cl(PClSeC)	97.8495	0.000	1	97.8495	0.000	1	97.8495	0.000	1	104.5872	17.811	11	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	4:1:1:1:	4:	4:	C[3x6]-4:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(C[3x6]C[6,6]3)(Cl)2(O)	Cl(PC[3x6]ClO)	Cl(PC[3x6]ClO)	P(C[3x6]C[6,6]3)(Cl)2(O)	Cl(PC[3x6]ClO)	Cl(PC[3x6]ClO)	102.1020	0.296	2	102.1020	0.087	2	102.1020	0.087	2	104.5872	17.811	11	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	4:1:1:1:	4:	4:	C[4x6]-4:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	Cl(PC[4x6]ClO)	Cl(PC[4x6]ClO)	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	Cl(PC[4x6]ClO)	Cl(PC[4x6]ClO)	102.1800	0.000	1	102.1800	0.000	1	102.1800	0.000	1	104.5872	17.811	11	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	4:1:1:1:	4:	4:	C[6]-4:Cl-1:Cl-1:Cl-1:	P-4:	P-4:	P(C[6]C[6]2H)(Cl)3	Cl(PC[6]Cl2)	Cl(PC[6]Cl2)	P(C[6]C[6]2H)(Cl)3	Cl(PC[6]Cl2)	Cl(PC[6]Cl2)	108.0318	0.264	6	108.0318	0.069	6	108.0318	0.069	6	104.5872	17.811	11	104.5603	6.692	134	104.5603	6.692	134
992	790	790	0:SP3_SP-NON_SP-NON	P	Cl	Cl	4:4:1:1:	4:	4:	Ga-4:C-4:Cl-1:Cl-1:	P-4:	P-4:	P(GaCl3)(CC3)(Cl)2	Cl(PClGaC)	Cl(PClGaC)	P(GaCl3)(CC3)(Cl)2	Cl(PClGaC)	Cl(PClGaC)	105.2100	0.000	1	105.2100	0.000	1	105.2100	0.000	1	105.2100	0.000	1	104.5603	6.692	134	104.5603	6.692	134
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	1:1:1:1:	4:	4:	Cl-1:Cl-1:O-1:O-1:	P-4:	P-4:	P(Cl)2(O)2	Cl(PClOO)	O(PCl2O)	P(Cl)2(O)2	Cl(PClOO)	O(PCl2O)	108.3610	0.734	4	108.3610	0.539	4	108.3610	0.539	4	108.3610	0.539	4	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	2:1:1:1:	4:	4:	N-2:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(NP)(Cl)2(O)	Cl(PClNO)	O(PCl2N)	P(NP)(Cl)2(O)	Cl(PClNO)	O(PCl2N)	110.2180	0.808	2	110.2180	0.652	2	110.2180	0.652	2	113.1212	2.783	12	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	2:1:1:1:	4:	4:	O-2:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(OC[6a])(Cl)2(O)	Cl(PClOO)	O(PCl2O)	P(OC[6a])(Cl)2(O)	Cl(PClOO)	O(PCl2O)	113.7019	1.040	10	113.7019	1.081	10	113.7019	1.081	10	113.1212	2.783	12	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	2:2:1:1:	4:	4:	O-2:O-2:Cl-1:O-1:	P-4:	P-4:	P(OC[6a])2(Cl)(O)	Cl(PO3)	O(PClOO)	P(OC[6a])2(Cl)(O)	Cl(PO3)	O(PClOO)	113.9575	0.364	2	113.9575	0.133	2	113.9575	0.133	2	113.9575	0.133	2	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	2:3:1:1:	4:	4:	O-2:N-3:Cl-1:O-1:	P-4:	P-4:	P(OC[6a])(NCC)(Cl)(O)	Cl(PNOO)	O(PClNO)	P(OC[6a])(NCC)(Cl)(O)	Cl(PNOO)	O(PClNO)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	3:1:1:1:	4:	4:	C[6a]-3:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(Cl)2(O)	Cl(PC[6a]ClO)	O(PC[6a]Cl2)	P(C[6a]C[6a]2)(Cl)2(O)	Cl(PC[6a]ClO)	O(PC[6a]Cl2)	109.6630	0.922	2	109.6630	0.850	2	109.6630	0.850	2	111.3932	2.045	6	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	3:1:1:1:	4:	4:	N-3:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(NCC)(Cl)2(O)	Cl(PClNO)	O(PCl2N)	P(NCC)(Cl)2(O)	Cl(PClNO)	O(PCl2N)	112.4985	0.180	2	112.4985	0.033	2	112.2583	0.131	4	111.3932	2.045	6	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	3:1:1:1:	4:	4:	N-3:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(NCH)(Cl)2(O)	Cl(PClNO)	O(PCl2N)	P(NCH)(Cl)2(O)	Cl(PClNO)	O(PCl2N)	112.0180	0.361	2	112.0180	0.130	2	112.2583	0.131	4	111.3932	2.045	6	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(CC3)(Cl)(O)	Cl(PC[6a]CO)	O(PC[6a]ClC)	P(C[6a]C[6a]2)(CC3)(Cl)(O)	Cl(PC[6a]CO)	O(PC[6a]ClC)	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.4320	0.000	1	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	4:1:1:1:	4:	4:	C[3x6]-4:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(C[3x6]C[6,6]3)(Cl)2(O)	Cl(PC[3x6]ClO)	O(PC[3x6]Cl2)	P(C[3x6]C[6,6]3)(Cl)2(O)	Cl(PC[3x6]ClO)	O(PC[3x6]Cl2)	111.9943	0.337	3	111.9943	0.114	3	111.9943	0.114	3	111.4540	0.614	5	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	4:1:1:1:	4:	4:	C[4x6]-4:Cl-1:Cl-1:O-1:	P-4:	P-4:	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	Cl(PC[4x6]ClO)	O(PC[4x6]Cl2)	P(C[4x6]C[4x6]2C[6,6])(Cl)2(O)	Cl(PC[4x6]ClO)	O(PC[4x6]Cl2)	110.6435	0.196	2	110.6435	0.038	2	110.6435	0.038	2	111.4540	0.614	5	111.6024	5.352	32	111.6024	5.352	32
992	790	863	0:SP3_SP-NON_SP2	P	Cl	O	4:2:1:1:	4:	4:	C-4:O-2:Cl-1:O-1:	P-4:	P-4:	P(CSi2H)(OH)(Cl)(O)	Cl(PCOO)	O(PClCO)	P(CSi2H)(OH)(Cl)(O)	Cl(PCOO)	O(PClCO)	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	105.5520	0.000	1	111.6024	5.352	32	111.6024	5.352	32
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:1:1:1:	4:	3:4:	O-2:Cl-1:Cl-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(Cl)2(O)	Cl(PClOO)	O(C[6a]C[6a]2)(PCl2O)	P(OC[6a])(Cl)2(O)	Cl(PClOO)	O(C[6a]C[6a]2)(PCl2O)	102.6414	2.466	10	102.6414	6.080	10	102.6414	6.080	10	102.6414	6.080	10	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:2:1:1:	4:	3:4:	O-2:O-2:Cl-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(Cl)(O)	Cl(PO3)	O(C[6a]C[6a]2)(PClOO)	P(OC[6a])2(Cl)(O)	Cl(PO3)	O(C[6a]C[6a]2)(PClOO)	102.9245	3.368	4	102.9245	11.344	4	102.9245	11.344	4	106.5660	18.778	9	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:2:1:1:	4:	3:4:	O-2:O-2:Cl-1:S-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(Cl)(S)	Cl(POOS)	O(C[6a]C[6a]2)(PClOS)	P(OC[6a])2(Cl)(S)	Cl(POOS)	O(C[6a]C[6a]2)(PClOS)	109.4792	2.276	5	109.4792	5.178	5	109.4792	5.178	5	106.5660	18.778	9	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:2:2:1:	4:	3:4:	O-2:N-2:N-2:Cl-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NP)2(Cl)	Cl(PNNO)	O(C[6a]C[6a]2)(PClNN)	P(OC[6a])(NP)2(Cl)	Cl(PNNO)	O(C[6a]C[6a]2)(PClNN)	103.9815	4.150	2	103.9815	17.223	2	103.3679	3.055	8	103.3679	3.055	8	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:2:2:1:	4:	3:4:	O-2:N-2:N-2:Cl-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	O(C[6a]C[6a]2)(PClNN)	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	O(C[6a]C[6a]2)(PClNN)	103.4282	0.708	4	103.4282	0.501	4	103.3679	3.055	8	103.3679	3.055	8	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:2:2:1:	4:	3:4:	O-2:N-2:N-2:Cl-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NP[6])(NP)(Cl)	Cl(PNNO)	O(C[6a]C[6a]2)(PClNN)	P(OC[6a])(NP[6])(NP)(Cl)	Cl(PNNO)	O(C[6a]C[6a]2)(PClNN)	102.6335	0.903	2	102.6335	0.815	2	103.3679	3.055	8	103.3679	3.055	8	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP2	P	Cl	O	2:3:1:1:	4:	3:4:	O-2:N-3:Cl-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCC)(Cl)(O)	Cl(PNOO)	O(C[6a]C[6a]2)(PClNO)	P(OC[6a])(NCC)(Cl)(O)	Cl(PNOO)	O(C[6a]C[6a]2)(PClNO)	102.3970	0.000	1	102.3970	0.000	1	102.3970	0.000	1	102.3970	0.000	1	104.1017	11.464	28	104.1017	11.464	28
992	790	893	0:SP3_SP-NON_SP3	P	Cl	O	2:2:2:1:	4:	4:4:	N-2:N-2:O-2:Cl-1:	P-4:	P-4:C-4:	P(NP)2(OC)(Cl)	Cl(PNNO)	O(PClNN)(CCHH)	P(NP)2(OC)(Cl)	Cl(PNNO)	O(PClNN)(CCHH)	103.8102	0.666	4	103.8102	0.443	4	103.8102	0.443	4	103.8102	0.443	4	103.9472	0.426	5	103.9472	0.426	5
992	790	893	0:SP3_SP-NON_SP3	P	Cl	O	4:2:1:1:	4:	4:1:	C-4:O-2:Cl-1:O-1:	P-4:	P-4:H-1:	P(CSi2H)(OH)(Cl)(O)	Cl(PCOO)	O(PClCO)(H)	P(CSi2H)(OH)(Cl)(O)	Cl(PCOO)	O(PClCO)(H)	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	104.4950	0.000	1	103.9472	0.426	5	103.9472	0.426	5
992	790	930	0:SP3_SP-NON_SP2	P	Cl	C	3:4:1:1:	4:	3:4:3:	C-3:C-4:Cl-1:Cl-1:	P-4:	C[6a]-3:P-4:C-3:	P(CC[6a]C)(CC3)(Cl)2	Cl(PClCC)	C(C[6a]C[6a]2)(PCl2C)(CBH)	P(CC[6a]C)(CC3)(Cl)2	Cl(PClCC)	C(C[6a]C[6a]2)(PCl2C)(CBH)	110.3135	0.773	2	110.3135	0.597	2	110.3135	0.597	2	110.3135	0.597	2	110.3135	0.597	2	110.3135	0.597	2
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	3:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	C[6]-3:P-4:	P(NC[6])(Cl)3	Cl(PCl2N)	N(C[6]N[6]2)(PCl3)	P(NC[6])(Cl)3	Cl(PCl2N)	N(C[6]N[6]2)(PCl3)	112.7004	6.089	5	112.7004	37.076	5	112.7004	37.076	5	113.7260	26.514	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	3:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	C[6a]-3:P-4:	P(NC[6a])(Cl)3	Cl(PCl2N)	N(C[6a]N[6a]2)(PCl3)	P(NC[6a])(Cl)3	Cl(PCl2N)	N(C[6a]N[6a]2)(PCl3)	113.9823	5.034	20	113.9823	25.340	20	113.9823	25.340	20	113.7260	26.514	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:3:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:C-3:	P(NC)(Cl)3	Cl(PCl2N)	N(PCl3)(CClN)	P(NC)(Cl)3	Cl(PCl2N)	N(PCl3)(CClN)	112.0797	4.796	12	112.0797	23.004	12	112.0797	23.004	12	112.0797	23.004	12	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)(Cl)3	Cl(PCl2N)	N(PCl2N)(PCl3)	P(NP)(Cl)3	Cl(PCl2N)	N(PCl2N)(PCl3)	112.3869	2.111	9	112.3869	4.457	9	112.5061	5.159	40	112.2271	7.510	45	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)(Cl)3	Cl(PCl2N)	N(PCl3)(PN3)	P(NP)(Cl)3	Cl(PCl2N)	N(PCl3)(PN3)	113.1859	3.454	7	113.1859	11.928	7	112.5061	5.159	40	112.2271	7.510	45	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)(Cl)3	Cl(PCl2N)	N(PCl3)2	P(NP)(Cl)3	Cl(PCl2N)	N(PCl3)2	112.0942	1.713	21	112.0942	2.935	21	112.5061	5.159	40	112.2271	7.510	45	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)(Cl)3	Cl(PCl2N)	N(PClNN)(PCl3)	P(NP)(Cl)3	Cl(PCl2N)	N(PClNN)(PCl3)	114.1610	3.175	3	114.1610	10.078	3	112.5061	5.159	40	112.2271	7.510	45	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:4:	N-2:Cl-1:Cl-1:Cl-1:	P-4:	P[6]-4:P-4:	P(NP[6])(Cl)3	Cl(PCl2N)	N(P[6]N[6]2Cl)(PCl3)	P(NP[6])(Cl)3	Cl(PCl2N)	N(P[6]N[6]2Cl)(PCl3)	113.1820	3.288	3	113.1820	10.810	3	113.1820	10.810	3	112.2271	7.510	45	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:1:1:1:	4:	4:4:	N-2:Cl-1:Cl-1:O-1:	P-4:	P-4:P-4:	P(NP)(Cl)2(O)	Cl(PClNO)	N(PCl2N)(PCl2O)	P(NP)(Cl)2(O)	Cl(PClNO)	N(PCl2N)(PCl2O)	105.2150	1.853	2	105.2150	3.432	2	105.2150	3.432	2	112.2271	7.510	45	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	3:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	C-3:P-4:	P(NC)2(Cl)2	Cl(PClNN)	N(CC[6a]N)(PCl2N)	P(NC)2(Cl)2	Cl(PClNN)	N(CC[6a]N)(PCl2N)	105.6368	0.932	4	105.6368	0.869	4	105.6368	0.869	4	105.6368	0.869	4	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:3:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:C-3:	P(NC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(CClN)	P(NC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(CClN)	109.4818	4.694	4	109.4818	22.034	4	109.4818	22.034	4	109.4818	22.034	4	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)2	P(NC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)2	108.4300	2.344	4	108.4300	5.494	4	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PC[6a]3)(PCl2N)	P(NP)2(Cl)2	Cl(PClNN)	N(PC[6a]3)(PCl2N)	109.4472	2.125	6	109.4472	4.514	6	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PCl3)	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PCl3)	108.5005	2.070	6	108.5005	4.285	6	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PClNN)	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PClNN)	107.6499	2.416	8	107.6499	5.837	8	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PClNO)	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PClNO)	107.6181	2.487	16	107.6181	6.184	16	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PN3)	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PN3)	109.0733	3.152	4	109.0733	9.934	4	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PNOO)	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)(PNOO)	107.6131	1.293	8	107.6131	1.673	8	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)2	P(NP)2(Cl)2	Cl(PClNN)	N(PCl2N)2	108.1626	2.889	16	108.1626	8.348	16	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NP[6])(NP)(Cl)2	Cl(PClNN)	N(PCl2N)2	P(NP[6])(NP)(Cl)2	Cl(PClNN)	N(PCl2N)2	107.0558	2.958	6	107.0558	8.748	6	108.0355	5.948	74	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P[5]-4:P-4:	P(NP[5])2(Cl)2	Cl(PClNN)	N(P[5]N[5]2N)(PCl2N)	P(NP[5])2(Cl)2	Cl(PClNN)	N(P[5]N[5]2N)(PCl2N)	107.8675	2.308	4	107.8675	5.325	4	107.8675	5.325	4	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P[6]-4:P-4:	P(NP[6])(NP)(Cl)2	Cl(PClNN)	N(P[6]N[6]O[6]N)(PCl2N)	P(NP[6])(NP)(Cl)2	Cl(PClNN)	N(P[6]N[6]O[6]N)(PCl2N)	108.4338	2.478	6	108.4338	6.141	6	107.5958	7.785	18	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:1:1:	4:	4:4:	N-2:N-2:Cl-1:Cl-1:	P-4:	P[6]-4:P-4:	P(NP[6])2(Cl)2	Cl(PClNN)	N(P[6]N[6]2N)(PCl2N)	P(NP[6])2(Cl)2	Cl(PClNN)	N(P[6]N[6]2N)(PCl2N)	107.1768	2.944	12	107.1768	8.666	12	107.5958	7.785	18	107.9461	6.161	96	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	3:4:	N-2:N-2:N-2:Cl-1:	P-4:	C-3:P-4:	P(NC)2(NP)(Cl)	Cl(PN3)	N(CC[6a]N)(PClNN)	P(NC)2(NP)(Cl)	Cl(PN3)	N(CC[6a]N)(PClNN)	107.4800	1.362	2	107.4800	1.855	2	107.4800	1.855	2	107.4800	1.855	2	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	N-2:N-2:N-2:Cl-1:	P-4:	P-4:P-4:	P(NC)2(NP)(Cl)	Cl(PN3)	N(PClNN)(PCl3)	P(NC)2(NP)(Cl)	Cl(PN3)	N(PClNN)(PCl3)	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	N-2:N-2:O-2:Cl-1:	P-4:	P-4:P-4:	P(NP)2(OC)(Cl)	Cl(PNNO)	N(PClNO)(PNOO)	P(NP)2(OC)(Cl)	Cl(PNNO)	N(PClNO)(PNOO)	105.8118	0.620	4	105.8118	0.384	4	105.4586	0.310	8	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	N-2:N-2:O-2:Cl-1:	P-4:	P-4:P-4:	P(NP)2(OC)(Cl)	Cl(PNNO)	N(PClNO)2	P(NP)2(OC)(Cl)	Cl(PNNO)	N(PClNO)2	105.1055	0.075	4	105.1055	0.006	4	105.4586	0.310	8	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	O-2:N-2:N-2:Cl-1:	P-4:	P-4:P-4:	P(OC[6a])(NP)2(Cl)	Cl(PNNO)	N(PCl2N)(PClNO)	P(OC[6a])(NP)2(Cl)	Cl(PNNO)	N(PCl2N)(PClNO)	106.1745	1.327	4	106.1745	1.760	4	107.5183	2.086	10	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	O-2:N-2:N-2:Cl-1:	P-4:	P-4:P-4:	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	N(PCl2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	N(PCl2N)(PClNO)	108.2390	0.086	2	108.2390	0.007	2	107.5183	2.086	10	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	O-2:N-2:N-2:Cl-1:	P-4:	P-4:P-4:	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	N(PN[6]2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	N(PN[6]2N)(PClNO)	108.7855	0.664	2	108.7855	0.441	2	107.5183	2.086	10	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	O-2:N-2:N-2:Cl-1:	P-4:	P-4:P-4:	P(OC[6a])(NP[6])(NP)(Cl)	Cl(PNNO)	N(PCl2N)(PClNO)	P(OC[6a])(NP[6])(NP)(Cl)	Cl(PNNO)	N(PCl2N)(PClNO)	108.2180	0.771	2	108.2180	0.594	2	107.5183	2.086	10	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	O-2:N-2:N-2:Cl-1:	P-4:	P[5]-4:P-4:	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	N(P[5]N[5]2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	Cl(PNNO)	N(P[5]N[5]2N)(PClNO)	104.5763	1.274	4	104.5763	1.622	4	104.5763	1.622	4	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:2:2:1:	4:	4:4:	O-2:N-2:N-2:Cl-1:	P-4:	P[6]-4:P-4:	P(OC[6a])(NP[6])(NP)(Cl)	Cl(PNNO)	N(P[6]N[6]2N)(PClNO)	P(OC[6a])(NP[6])(NP)(Cl)	Cl(PNNO)	N(P[6]N[6]2N)(PClNO)	105.0045	0.112	2	105.0045	0.013	2	105.0045	0.013	2	106.1246	2.538	25	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	2:3:1:1:	4:	4:4:	N-2:N-3:Cl-1:Cl-1:	P-4:	P[5]-4:P-4:	P(NP[5])(NCC)(Cl)2	Cl(PClNN)	N(P[5]C[5]2N)(PCl2N)	P(NP[5])(NCC)(Cl)2	Cl(PClNN)	N(P[5]C[5]2N)(PCl2N)	113.5695	0.865	2	113.5695	0.748	2	113.5695	0.748	2	113.5695	0.748	2	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	3:2:1:1:	4:	4:3:	N-3:N-2:Cl-1:Cl-1:	P-4:	P-4:P-3:	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(PClN)	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(PClN)	114.0175	1.628	2	114.0175	2.652	2	114.0175	2.652	2	114.0175	2.652	2	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	3:2:1:1:	4:	4:4:	N-3:N-2:Cl-1:Cl-1:	P-4:	P-4:P-4:	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(PCl2O)	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(PCl2O)	112.8540	1.547	2	112.8540	2.394	2	112.8540	2.394	2	112.8540	2.394	2	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	3:2:2:1:	4:	4:4:	N-3:N-2:N-2:Cl-1:	P-4:	P-4:P-4:	P(NC[6a]H)(NP)2(Cl)	Cl(PN3)	N(PCl2N)(PClNN)	P(NC[6a]H)(NP)2(Cl)	Cl(PN3)	N(PCl2N)(PClNN)	108.2482	1.484	4	108.2482	2.203	4	108.2482	2.203	4	108.2482	2.203	4	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	3:3:2:1:	4:	4:3:	C[6a]-3:C[6a]-3:N-2:Cl-1:	P-4:	P-4:C-3:	P(C[6a]C[6a]2)2(NC)(Cl)	Cl(PC[6a]2N)	N(PC[6a]2Cl)(CC[6a]N)	P(C[6a]C[6a]2)2(NC)(Cl)	Cl(PC[6a]2N)	N(PC[6a]2Cl)(CC[6a]N)	117.8430	0.733	3	117.8430	0.538	3	117.8430	0.538	3	117.8430	0.538	3	109.7443	16.470	227	109.7443	16.470	227
992	790	941	0:SP3_SP-NON_SP2	P	Cl	N	4:4:2:1:	4:	4:4:	C-4:C-4:N-2:Cl-1:	P-4:	P-4:P-4:	P(CCCH)2(NP)(Cl)	Cl(PCCN)	N(PClCC)(PSeCC)	P(CCCH)2(NP)(Cl)	Cl(PCCN)	N(PClCC)(PSeCC)	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	109.7443	16.470	227	109.7443	16.470	227
992	790	956	0:SP3_SP-NON_SP2	P	Cl	N	3:1:1:1:	4:	4:4:1:	N-3:Cl-1:Cl-1:O-1:	P-4:	P-4:C-4:H-1:	P(NCH)(Cl)2(O)	Cl(PClNO)	N(PCl2O)(CC3)(H)	P(NCH)(Cl)2(O)	Cl(PClNO)	N(PCl2O)(CC3)(H)	107.3635	1.177	2	107.3635	1.386	2	107.3635	1.386	2	107.3635	1.386	2	106.8822	0.886	6	106.8822	0.886	6
992	790	956	0:SP3_SP-NON_SP2	P	Cl	N	3:2:1:1:	4:	4:4:4:	N-3:N-2:Cl-1:Cl-1:	P-4:	P-4:C-4:C-4:	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(CCCH)2	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(CCCH)2	106.7420	1.471	2	106.7420	2.163	2	106.7420	2.163	2	106.7420	2.163	2	106.8822	0.886	6	106.8822	0.886	6
992	790	956	0:SP3_SP-NON_SP2	P	Cl	N	3:2:2:1:	4:	3:4:1:	N-3:N-2:N-2:Cl-1:	P-4:	C[6a]-3:P-4:H-1:	P(NC[6a]H)(NP)2(Cl)	Cl(PN3)	N(C[6a]C[6a]2)(PClNN)(H)	P(NC[6a]H)(NP)2(Cl)	Cl(PN3)	N(C[6a]C[6a]2)(PClNN)(H)	106.5410	0.379	2	106.5410	0.144	2	106.5410	0.144	2	106.5410	0.144	2	106.8822	0.886	6	106.8822	0.886	6
992	790	956	0:SP3_SP-NON_SP3	P	Cl	N	2:3:1:1:	4:	4:4:4:	N-2:N-3:Cl-1:Cl-1:	P-4:	P-4:C-4:C-4:	P(NP[5])(NCC)(Cl)2	Cl(PClNN)	N(PCl2N)(CCCH)2	P(NP[5])(NCC)(Cl)2	Cl(PClNN)	N(PCl2N)(CCCH)2	107.1965	0.288	2	107.1965	0.083	2	107.1965	0.083	2	107.3990	0.164	3	107.9908	2.434	8	107.9908	2.434	8
992	790	956	0:SP3_SP-NON_SP3	P	Cl	N	2:3:1:1:	4:	4:4:4:	O-2:N-3:Cl-1:O-1:	P-4:	P-4:C-4:C-4:	P(OC[6a])(NCC)(Cl)(O)	Cl(PNOO)	N(PClOO)(CH3)2	P(OC[6a])(NCC)(Cl)(O)	Cl(PNOO)	N(PClOO)(CH3)2	107.8040	0.000	1	107.8040	0.000	1	107.8040	0.000	1	107.3990	0.164	3	107.9908	2.434	8	107.9908	2.434	8
992	790	956	0:SP3_SP-NON_SP3	P	Cl	N	3:1:1:1:	4:	4:4:4:	N-3:Cl-1:Cl-1:O-1:	P-4:	P-4:C-4:C-4:	P(NCC)(Cl)2(O)	Cl(PClNO)	N(PCl2O)(CCHH)2	P(NCC)(Cl)2(O)	Cl(PClNO)	N(PCl2O)(CCHH)2	106.7580	1.853	2	106.7580	3.432	2	106.7580	3.432	2	106.7580	3.432	2	107.9908	2.434	8	107.9908	2.434	8
992	790	956	0:SP3_SP-NON_SP3	P	Cl	N	3:2:1:1:	4:	4:4:4:	N-3:N-2:Cl-1:Cl-1:	P-4:	P-4:C-4:C-4:	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(CCCH)2	P(NCC)(NP)(Cl)2	Cl(PClNN)	N(PCl2N)(CCCH)2	108.6915	0.383	2	108.6915	0.146	2	108.6915	0.146	2	108.6915	0.146	2	107.9908	2.434	8	107.9908	2.434	8
992	790	956	0:SP3_SP-NON_SP3	P	Cl	N	4:3:4:1:	4:	4:4:3:	Ga-4:N-3:C-4:Cl-1:	P-4:	P-4:Si-4:N-3:	P(GaCl3)(NSiN)(CH3)(Cl)	Cl(PGaCN)	N(PClGaC)(SiC3)(NSi2)	P(GaCl3)(NSiN)(CH3)(Cl)	Cl(PGaCN)	N(PClGaC)(SiC3)(NSi2)	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	110.8300	0.000	1	107.9908	2.434	8	107.9908	2.434	8
992	790	977	0:SP3_SP-NON_SP-NON	P	Cl	S	2:2:1:1:	4:	4:	O-2:O-2:Cl-1:S-1:	P-4:	P-4:	P(OC[6a])2(Cl)(S)	Cl(POOS)	S(PClOO)	P(OC[6a])2(Cl)(S)	Cl(POOS)	S(PClOO)	113.6880	0.621	3	113.6880	0.386	3	113.6880	0.386	3	113.6880	0.386	3	112.3041	2.898	8	112.3041	2.898	8
992	790	977	0:SP3_SP-NON_SP-NON	P	Cl	S	3:4:1:1:	4:	4:	C[6a]-3:C-4:Cl-1:S-1:	P-4:	P-4:	P(C[6a]C[6a]2)(CC3)(Cl)(S)	Cl(PC[6a]CS)	S(PC[6a]ClC)	P(C[6a]C[6a]2)(CC3)(Cl)(S)	Cl(PC[6a]CS)	S(PC[6a]ClC)	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.3041	2.898	8	112.3041	2.898	8
992	790	977	0:SP3_SP-NON_SP-NON	P	Cl	S	4:1:1:1:	4:	4:	C-4:Cl-1:Cl-1:S-1:	P-4:	P-4:	P(CSi2H)(Cl)2(S)	Cl(PClCS)	S(PCl2C)	P(CSi2H)(Cl)2(S)	Cl(PClCS)	S(PCl2C)	112.5210	0.574	2	112.5210	0.330	2	112.5210	0.330	2	111.1873	2.893	4	112.3041	2.898	8	112.3041	2.898	8
992	790	977	0:SP3_SP-NON_SP-NON	P	Cl	S	4:1:1:1:	4:	4:	P-4:Cl-1:S-1:S-1:	P-4:	P-4:	P(PC[6a]2C)(Cl)(S)2	Cl(PPSS)	S(PClPS)	P(PC[6a]2C)(Cl)(S)2	Cl(PPSS)	S(PClPS)	109.8535	1.111	2	109.8535	1.234	2	109.8535	1.234	2	111.1873	2.893	4	112.3041	2.898	8	112.3041	2.898	8
992	790	984	0:SP3_SP-NON_SP-NON	P	Cl	Ga	4:3:4:1:	4:	4:1:1:1:	Ga-4:N-3:C-4:Cl-1:	P-4:	P-4:Cl-1:Cl-1:Cl-1:	P(GaCl3)(NSiN)(CH3)(Cl)	Cl(PGaCN)	Ga(PClCN)(Cl)3	P(GaCl3)(NSiN)(CH3)(Cl)	Cl(PGaCN)	Ga(PClCN)(Cl)3	102.7470	0.000	1	102.7470	0.000	1	102.7470	0.000	1	102.7470	0.000	1	106.2643	10.707	3	106.2643	10.707	3
992	790	984	0:SP3_SP-NON_SP-NON	P	Cl	Ga	4:4:1:1:	4:	4:1:1:1:	Ga-4:C-4:Cl-1:Cl-1:	P-4:	P-4:Cl-1:Cl-1:Cl-1:	P(GaCl3)(CC3)(Cl)2	Cl(PClGaC)	Ga(PCl2C)(Cl)3	P(GaCl3)(CC3)(Cl)2	Cl(PClGaC)	Ga(PCl2C)(Cl)3	108.0230	1.690	2	108.0230	2.856	2	108.0230	2.856	2	108.0230	2.856	2	106.2643	10.707	3	106.2643	10.707	3
992	790	992	0:SP3_SP-NON_SP3	P	Cl	P	4:1:1:1:	4:	3:3:4:4:	P-4:Cl-1:S-1:S-1:	P-4:	C[6a]-3:C[6a]-3:P-4:C-4:	P(PC[6a]2C)(Cl)(S)2	Cl(PPSS)	P(C[6a]C[6a]2)2(PClSS)(CCHH)	P(PC[6a]2C)(Cl)(S)2	Cl(PPSS)	P(C[6a]C[6a]2)2(PClSS)(CCHH)	97.2496	0.000	1	97.2496	0.000	1	97.2496	0.000	1	97.2496	0.000	1	97.2496	0.000	1	97.2496	0.000	1
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:P-4:	P(N[5a]C[5a]N[5a])3(O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	P(N[5a]C[5a]N[5a])3(O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	104.4080	1.557	6	104.4080	2.423	6	104.4080	2.423	6	104.4080	2.423	6	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O){2|H<1>,4|C<3>}	103.2460	0.520	2	103.2460	0.271	2	103.2460	0.271	2	104.3475	4.933	8	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:P-4:	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	105.3110	0.000	1	105.3110	0.000	1	105.3110	0.000	1	104.3475	4.933	8	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C[6a]-3:S-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S){2|H<1>,4|C<3>}	101.9850	0.000	1	101.9850	0.000	1	101.9850	0.000	1	104.3475	4.933	8	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C[6a]-3:Se-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(Se)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(Se)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se){2|H<1>,4|C<3>}	102.0310	0.000	1	102.0310	0.000	1	102.0310	0.000	1	104.3475	4.933	8	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P(N[5a]C[5a,6a]2)3(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O)	P(N[5a]C[5a,6a]2)3(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O){2|H<1>,4|C<3>}	106.3203	2.035	3	106.3203	4.140	3	106.3203	4.140	3	104.3475	4.933	8	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:3:2:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:P-4:	P(N[5a]C[5a]2)3(NC[6a])	N[5a](C[5a]C[5a]H)2(PN[5a]2N)	N[5a](C[5a]C[5a]H)2(PN[5a]2N)	P(N[5a]C[5a]2)3(NC[6a])	N[5a](C[5a]C[5a]H)2(PN[5a]2N){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2N){2|H<1>}	103.2657	1.384	3	103.2657	1.915	3	103.2657	1.915	3	103.2657	1.915	3	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP2	P	N[5a]	N[5a]	3:3:4:1:	3:2:4:	3:2:4:	N[5a]-3:N[5a]-3:C-4:S-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:P-4:	P(N[5a]C[5a]N[5a])2(CH3)(S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	P(N[5a]C[5a]N[5a])2(CH3)(S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	102.2740	0.000	1	102.2740	0.000	1	102.2740	0.000	1	102.2740	0.000	1	104.0722	3.350	18	104.0722	3.350	18
992	813	813	0:SP3_SP2_SP3	P	N[5a]	N[5a]	3:3:3:1:	3:3:4:	3:3:4:	N[5a]-3:N[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:P-4:	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	104.8030	0.000	1	104.8030	0.000	1	104.8030	0.000	1	104.8030	0.000	1	104.8030	0.000	1	104.8030	0.000	1
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:2:2:1:	3:3:4:	4:	N[5a]-3:O-2:O-2:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(OC[5])2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3)	O(PN[5a]OO)	P(N[5a]C[5a,6a]C[5a])(OC[5])2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3){2|C<3>,2|H<1>}	O(PN[5a]OO)	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:3:3:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:O-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(N[5a]C[5a]N[5a])3(O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	O(PN[5a]3)	P(N[5a]C[5a]N[5a])3(O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	O(PN[5a]3)	114.1570	0.986	6	114.1570	0.972	6	114.1570	0.972	6	114.1570	0.972	6	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2O)	O(PC[6a]2N[5a])	P(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2O){2|H<1>,4|C<3>}	O(PC[6a]2N[5a])	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	111.5455	1.836	12	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:3:3:1:	3:3:4:	4:	N[5a]-3:N-3:N-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO)	O(PN[5a]NN)	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO){1|H<1>,2|C<3>}	O(PN[5a]NN)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	111.5455	1.836	12	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O)	O(PC[6a]N[5a]2)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O){2|H<1>,4|C<3>}	O(PC[6a]N[5a]2)	111.8088	0.781	4	111.8088	0.611	4	111.8088	0.611	4	111.5455	1.836	12	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	O(PC[6a]N[5a]2)	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	O(PC[6a]N[5a]2)	111.6170	0.149	3	111.6170	0.022	3	111.6170	0.022	3	111.5455	1.836	12	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:N[5a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]2)3(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O)	O(PN[5a]3)	P(N[5a]C[5a,6a]2)3(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O){2|H<1>,4|C<3>}	O(PN[5a]3)	112.4620	0.476	3	112.4620	0.226	3	112.4620	0.226	3	111.5455	1.836	12	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	O(PN[5a]CC)	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<2>,1|H<1>,2|C<3>}	O(PN[5a]CC)	110.9660	0.000	1	110.9352	0.768	8	111.0252	0.745	9	111.0252	0.745	9	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	O(PN[5a]CC)	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<4>,1|H<1>,2|C<3>}	O(PN[5a]CC)	112.1850	0.000	1	110.9352	0.768	8	111.0252	0.745	9	111.0252	0.745	9	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	O(PN[5a]CC)	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	O(PN[5a]CC)	111.3617	0.617	3	110.9352	0.768	8	111.0252	0.745	9	111.0252	0.745	9	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	O(PN[5a]CC)	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	O(PN[5a]CC)	110.0820	0.401	3	110.9352	0.768	8	111.0252	0.745	9	111.0252	0.745	9	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP2	P	N[5a]	O	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(CCHH)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	O(PN[5a]CC)	P(N[5a]C[5a,6a]C[5a])(CCHH)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	O(PN[5a]CC)	111.7450	0.000	1	111.7450	0.000	1	111.0252	0.745	9	111.0252	0.745	9	111.9953	2.640	28	111.9953	2.640	28
992	813	863	0:SP3_SP2_SP3	P	N[5a]	O	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	O(PC[6a]N[5a]2)	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	O(PC[6a]N[5a]2)	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	111.5817	1.356	3	111.5817	1.356	3
992	813	863	0:SP3_SP2_SP3	P	N[5a]	O	3:4:4:1:	3:3:4:	4:	N[5a]-3:C-4:C-4:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	O(PN[5a]CC)	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	O(PN[5a]CC)	110.9275	0.381	2	110.9275	0.145	2	110.9275	0.145	2	110.9275	0.145	2	111.5817	1.356	3	111.5817	1.356	3
992	813	893	0:SP3_SP2_SP3	P	N[5a]	O	3:2:2:1:	3:3:4:	4:4:	N[5a]-3:O-2:O-2:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5]-4:P-4:	P(N[5a]C[5a,6a]C[5a])(OC[5])2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3)	O(C[5]C[5]2Fe)(PN[5a]OO)	P(N[5a]C[5a,6a]C[5a])(OC[5])2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3){2|C<3>,2|H<1>}	O(C[5]C[5]2Fe)(PN[5a]OO)	103.5555	2.510	2	103.5555	6.298	2	103.5555	6.298	2	103.5555	6.298	2	103.5555	6.298	2	103.5555	6.298	2
992	813	941	0:SP3_SP2_SP2	P	N[5a]	N	3:3:3:2:	3:3:4:	3:4:	N[5a]-3:N[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:P-4:	C[6a]-3:P-4:	P(N[5a]C[5a]2)3(NC[6a])	N[5a](C[5a]C[5a]H)2(PN[5a]2N)	N(C[6a]C[6a]2)(PN[5a]3)	P(N[5a]C[5a]2)3(NC[6a])	N[5a](C[5a]C[5a]H)2(PN[5a]2N){2|H<1>}	N(C[6a]C[6a]2)(PN[5a]3)	115.0330	3.873	3	115.0330	15.003	3	115.0330	15.003	3	115.0330	15.003	3	115.0330	15.003	3	115.0330	15.003	3
992	813	956	0:SP3_SP2_SP2	P	N[5a]	N	3:3:3:1:	3:3:4:	4:4:4:	N[5a]-3:N-3:N-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:C-4:C-4:	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO)	N(PN[5a]NO)(CH3)2	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO){1|H<1>,2|C<3>}	N(PN[5a]NO)(CH3)2	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	107.0630	4.686	9	107.0630	4.686	9
992	813	956	0:SP3_SP2_SP2	P	N[5a]	N	3:3:3:2:	3:3:4:	4:4:4:	N[5a]-3:N-3:N-3:O-2:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:C-4:C-4:	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO)	N(PN[5a]NO)(CH3)2	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO){2|C<3>,2|H<1>}	N(PN[5a]NO)(CH3)2	106.5219	1.531	8	106.5219	2.343	8	106.5219	2.343	8	106.5219	2.343	8	107.0630	4.686	9	107.0630	4.686	9
992	813	956	0:SP3_SP2_SP3	P	N[5a]	N	3:3:3:1:	3:3:4:	4:4:4:	N[5a]-3:N-3:N-3:O-1:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:C-4:C-4:	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO)	N(PN[5a]NO)(CH3)2	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO){1|H<1>,2|C<3>}	N(PN[5a]NO)(CH3)2	101.8580	0.000	1	101.8580	0.000	1	101.8580	0.000	1	101.8580	0.000	1	105.3012	5.932	5	105.3012	5.932	5
992	813	956	0:SP3_SP2_SP3	P	N[5a]	N	3:3:3:2:	3:3:4:	4:4:4:	N[5a]-3:N-3:N-3:O-2:	C[5a,6a]-3:C[5a]-3:P-4:	P-4:C-4:C-4:	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO)	N(PN[5a]NO)(CH3)2	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO){2|C<3>,2|H<1>}	N(PN[5a]NO)(CH3)2	106.1620	1.723	4	106.1620	2.969	4	106.1620	2.969	4	106.1620	2.969	4	105.3012	5.932	5	105.3012	5.932	5
992	813	977	0:SP3_SP-NON_SP2	P	N[5a]	S	3:3:3:1:	3:3:4:	4:	N[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2S)	S(PC[6a]2N[5a])	P(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2S){2|H<1>,4|C<3>}	S(PC[6a]2N[5a])	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	114.1460	1.146	3	114.1398	0.577	5	114.1398	0.577	5
992	813	977	0:SP3_SP-NON_SP2	P	N[5a]	S	3:3:3:1:	3:3:4:	4:	N[5a]-3:N[5a]-3:C[6a]-3:S-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	P-4:	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S)	S(PC[6a]N[5a]2)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)(S)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S){2|H<1>,4|C<3>}	S(PC[6a]N[5a]2)	114.0510	1.496	2	114.0510	2.239	2	114.0510	2.239	2	114.1460	1.146	3	114.1398	0.577	5	114.1398	0.577	5
992	813	977	0:SP3_SP-NON_SP2	P	N[5a]	S	3:3:4:1:	3:2:4:	4:	N[5a]-3:N[5a]-3:C-4:S-1:	C[5a]-3:N[5a]-2:P-4:	P-4:	P(N[5a]C[5a]N[5a])2(CH3)(S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	S(PN[5a]2C)	P(N[5a]C[5a]N[5a])2(CH3)(S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	S(PN[5a]2C)	114.1305	0.117	2	114.1305	0.014	2	114.1305	0.014	2	114.1305	0.014	2	114.1398	0.577	5	114.1398	0.577	5
992	818	818	0:SP3_SP2_SP2	P	C[5]	C[5]	3:3:1:1:	3:2:4:	3:2:4:	C[5]-3:C[5]-3:S-1:S-1:	N[5]-3:S[5]-2:P-4:	N[5]-3:S[5]-2:P-4:	P(C[5]N[5]S[5])2(S)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS)	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS)	P(C[5]N[5]S[5])2(S)2	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS){2|C<4>}	C[5](N[5]C[5]C)(S[5]C[5])(PC[5]SS){2|C<4>}	95.8568	0.000	1	95.8568	0.000	1	95.8568	0.000	1	95.8568	0.000	1	100.6945	35.440	6	100.6945	35.440	6
992	818	818	0:SP3_SP2_SP2	P	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:S-1:S-1:	N[5]-3:N[5]-3:P-4:	N[5]-3:N[5]-3:P-4:	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5,6a]C)2(PC[5]SS)	C[5](N[5]C[5,6a]C)2(PC[5]SS)	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	96.7887	0.000	1	96.7887	0.000	1	97.4518	0.879	2	97.4518	0.879	2	100.6945	35.440	6	100.6945	35.440	6
992	818	818	0:SP3_SP2_SP2	P	C[5]	C[5]	3:3:1:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:S-1:S-1:	N[5]-3:N[5]-3:P-4:	N[5]-3:N[5]-3:P-4:	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5]C)2(PC[5]SS)	C[5](N[5]C[5]C)2(PC[5]SS)	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5]C)2(PC[5]SS){2|C<4>}	C[5](N[5]C[5]C)2(PC[5]SS){2|C<4>}	98.1148	0.000	1	98.1148	0.000	1	97.4518	0.879	2	97.4518	0.879	2	100.6945	35.440	6	100.6945	35.440	6
992	818	818	0:SP3_SP2_SP2	P	C[5]	C[5]	3:3:3:1:	4:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:O-1:	P-4:C[5]-3:N[5]-3:	P-4:C[5]-3:N[5]-3:	P(C[5]C[5]N[5])2(C[6a]C[6a]2)(O)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	P(C[5]C[5]N[5])2(C[6a]C[6a]2)(O)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	103.1020	0.000	1	103.1020	0.000	1	103.1020	0.000	1	103.1020	0.000	1	100.6945	35.440	6	100.6945	35.440	6
992	818	818	0:SP3_SP2_SP2	P	C[5]	C[5]	3:3:4:1:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:O-1:	N[5]-3:N[5]-3:P-4:	N[5]-3:N[5]-3:P-4:	P(C[5]N[5]2)2(CC3)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	P(C[5]N[5]2)2(CC3)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	98.5816	0.000	1	98.5816	0.000	1	98.5816	0.000	1	98.5816	0.000	1	100.6945	35.440	6	100.6945	35.440	6
992	818	818	0:SP3_SP2_SP2	P	C[5]	C[5]	3:3:4:4:	3:3:4:	3:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-3:C[5]-3:P-4:	C[5]-3:C[5]-3:P-4:	P(C[5]C[5]2)2(CC3)(CH3)	C[5](C[5]C[5]C)2(PC[5]CC)	C[5](C[5]C[5]C)2(PC[5]CC)	P(C[5]C[5]2)2(CC3)(CH3)	C[5](C[5]C[5]C)2(PC[5]CC){2|C<4>}	C[5](C[5]C[5]C)2(PC[5]CC){2|C<4>}	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	100.6945	35.440	6	100.6945	35.440	6
992	818	830	0:SP3_SP-NON_SP2	P	C[5]	F	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:F-1:	N[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(F)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F)	F(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(F)	C[5](N[5]C[6a]C[5])(C[5]N[5]Cl)(PC[6a]2F){1|Cl<1>,3|C<3>}	F(PC[6a]2C[5])	101.6080	0.000	1	101.6080	0.000	1	101.6080	0.000	1	101.6080	0.000	1	101.6080	0.000	1	101.6080	0.000	1
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:1:1:	3:3:4:	4:	C[5]-3:O-2:O-1:O-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[5]N[5]2)(OC)(O)2	C[5](N[5]C[5]C)2(PO3)	O(PC[5]OO)	P(C[5]N[5]2)(OC)(O)2	C[5](N[5]C[5]C)2(PO3){2|C<4>}	O(PC[5]OO)	107.2600	0.823	2	107.2600	0.677	2	107.2600	0.677	2	107.2600	0.677	2	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:1:1:	3:4:4:	4:	C[5]-3:O-2:O-1:O-1:	N[5]-3:C[5]-4:P-4:	P-4:	P(C[5]C[5]N[5])(OC)(O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	O(PC[5]OO)	P(C[5]C[5]N[5])(OC)(O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	O(PC[5]OO)	107.0027	4.338	4	107.0027	18.814	4	107.0027	18.814	4	107.0027	18.814	4	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	3:3:4:	4:	C[5]-3:O-2:O-2:O-1:	C[5,6a]-3:C[4,5]-3:P-4:	P-4:	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3)	O(PC[5]OO)	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3){1|C<4>,2|C<3>,4|H<1>}	O(PC[5]OO)	117.1670	0.000	1	117.1670	0.000	1	117.1670	0.000	1	114.1220	4.396	4	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	3:3:4:	4:	C[5]-3:O-2:O-2:O-1:	C[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3)	O(PC[5]OO)	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3){1|C<4>,4|C<3>}	O(PC[5]OO)	112.7380	0.095	2	112.7380	0.009	2	113.1070	0.413	3	114.1220	4.396	4	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	3:3:4:	4:	C[5]-3:O-2:O-2:O-1:	C[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3)	O(PC[5]OO)	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3){4|C<3>}	O(PC[5]OO)	113.8450	0.000	1	113.8450	0.000	1	113.1070	0.413	3	114.1220	4.396	4	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	3:4:4:	4:	C[5]-3:O-2:O-2:O-1:	N[5]-3:C[5]-4:P-4:	P-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	O(PC[5]OO)	P(C[5]C[5]N[5])(OC)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	O(PC[5]OO)	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	112.7930	0.000	1	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	4:2:4:	4:	C[5]-3:O-2:O-2:O-1:	C[5]-4:N[5]-2:P-4:	P-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]CH)(N[5]N[5])(PO3)	O(PC[5]OO)	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]CH)(N[5]N[5])(PO3){1|H<1>,2|C<3>}	O(PC[5]OO)	112.6560	0.000	1	112.6560	0.000	1	112.0902	3.038	5	112.0902	3.038	5	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	4:2:4:	4:	C[5]-3:O-2:O-2:O-1:	C[5]-4:N[5]-2:P-4:	P-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3)	O(PC[5]OO)	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3){1|H<1>,4|C<3>}	O(PC[5]OO)	110.9800	0.495	3	110.9800	0.246	3	112.0902	3.038	5	112.0902	3.038	5	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	4:2:4:	4:	C[5]-3:O-2:O-2:O-1:	C[5]-4:N[5]-2:P-4:	P-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(PO3)	O(PC[5]OO)	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(PO3){1|C<4>,1|H<1>,3|C<3>}	O(PC[5]OO)	114.8550	0.000	1	114.8550	0.000	1	112.0902	3.038	5	112.0902	3.038	5	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-1:O-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO)	O(PC[6a]C[5]O)	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]C)(N[5]C[5]H)(PC[6a]OO){2|H<1>}	O(PC[6a]C[5]O)	105.5970	2.835	2	105.5970	8.040	2	105.1863	3.411	4	105.1863	3.411	4	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:O-1:O-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]H)2(PC[6a]OO)	O(PC[6a]C[5]O)	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	C[5](N[5]C[5]H)2(PC[6a]OO){2|H<1>}	O(PC[6a]C[5]O)	104.7755	1.232	2	104.7755	1.519	2	105.1863	3.411	4	105.1863	3.411	4	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:2:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:N[5]-2:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5,5a]H)(N[5]N[5,5a])(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5,5a]H)(N[5]N[5,5a])(PC[6a]2O){2|B<4>}	O(PC[6a]2C[5])	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|H<1>}	O(PC[6a]2C[5])	109.6430	0.000	1	113.3113	10.109	3	110.9746	5.201	10	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	O(PC[6a]2C[5])	115.0180	0.000	1	113.3113	10.109	3	110.9746	5.201	10	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[6a]2O){1|Mo<6>,1|C<4>}	O(PC[6a]2C[5])	115.2730	0.000	1	113.3113	10.109	3	110.9746	5.201	10	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|S<1>}	O(PC[6a]2C[5])	110.6650	0.508	3	109.9731	0.532	7	110.9746	5.201	10	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:N[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2O){1|C<4>,1|W<6>}	O(PC[6a]2C[5])	109.4543	0.232	4	109.9731	0.532	7	110.9746	5.201	10	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	N[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2O){1|S<1>,3|C<3>}	O(PC[6a]2C[5])	113.7800	0.000	1	113.7800	0.000	1	114.0455	0.141	2	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	N[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2O){1|S<1>,3|C<3>}	O(PC[6a]2C[5])	114.3110	0.000	1	114.3110	0.000	1	114.0455	0.141	2	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(O)	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2)(O)	C[5](C[5]C[5]Br)(C[5]C[5]H)(PC[6a]2O){2|C<3>}	O(PC[6a]2C[5])	114.7410	0.000	1	114.7410	0.000	1	112.9295	6.563	2	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(O)	C[5](C[5]C[5]Br)2(PC[6a]2O)	O(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2)(O)	C[5](C[5]C[5]Br)2(PC[6a]2O){2|C<3>}	O(PC[6a]2C[5])	111.1180	0.000	1	111.1180	0.000	1	112.9295	6.563	2	111.6926	5.600	14	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:P-4:S[5]-2:	P-4:	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5])	O(PC[6a]2C[5])	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5]){1|C<4>,1|H<1>}	O(PC[6a]2C[5])	108.3230	0.000	1	109.6165	3.346	2	109.8517	1.839	3	109.8517	1.839	3	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:P-4:S[5]-2:	P-4:	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5])	O(PC[6a]2C[5])	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(O)	C[5](C[5]N[5]H)(PC[6a]2O)(S[5]C[5]){1|C<4>,1|S<1>}	O(PC[6a]2C[5])	110.9100	0.000	1	109.6165	3.346	2	109.8517	1.839	3	109.8517	1.839	3	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	C[5]-3:P-4:S[5]-2:	P-4:	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(O)	C[5](C[5]S[5]H)(PC[6a]2O)(S[5]C[5])	O(PC[6a]2C[5])	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(O)	C[5](C[5]S[5]H)(PC[6a]2O)(S[5]C[5]){1|S<1>}	O(PC[6a]2C[5])	110.3220	0.000	1	110.3220	0.000	1	109.8517	1.839	3	109.8517	1.839	3	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:4:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	N[5]-3:C[5]-4:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	O(PC[6a]2C[5])	112.6497	3.195	3	112.6497	10.207	3	112.6497	10.207	3	113.9270	8.616	5	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	3:4:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:O-1:	C[5]-3:C[5]-4:P-4:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(O)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2)(O)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	O(PC[6a]2C[5])	115.8430	1.346	2	115.8430	1.813	2	115.8430	1.813	2	113.9270	8.616	5	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	4:3:3:	4:	C[5]-3:C[5]-3:C[6a]-3:O-1:	P-4:C[5]-3:N[5]-3:	P-4:	P(C[5]C[5]N[5])2(C[6a]C[6a]2)(O)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C)	O(PC[6a]C[5]2)	P(C[5]C[5]N[5])2(C[6a]C[6a]2)(O)	C[5](PC[6a]C[5]O)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|S<1>}	O(PC[6a]C[5]2)	113.5115	1.300	2	113.5115	1.691	2	113.5115	1.691	2	113.5115	1.691	2	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	4:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	P[5]-4:C[5]-3:P-4:	P-4:	P(C[5]C[5]P[5])(C[6a]C[6a]2)2(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]P[5])(C[6a]C[6a]2)2(O)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(PC[6a]2O){6|C<3>}	O(PC[6a]2C[5])	113.3310	0.000	1	113.3310	0.000	1	111.6380	5.732	2	111.6380	5.732	2	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:3:1:	4:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:O-1:	P[5]-4:C[5]-3:P-4:	P-4:	P(C[5]C[5]P[5])(C[6a]C[6a]2)2(O)	C[5](P[5]C[6a]2N[5])(C[5]C[5]N)(PC[6a]2O)	O(PC[6a]2C[5])	P(C[5]C[5]P[5])(C[6a]C[6a]2)2(O)	C[5](P[5]C[6a]2N[5])(C[5]C[5]N)(PC[6a]2O){1|C<4>,2|H<1>,4|C<3>}	O(PC[6a]2C[5])	109.9450	0.000	1	109.9450	0.000	1	111.6380	5.732	2	111.6380	5.732	2	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:3:4:1:	3:3:4:	4:	C[5]-3:C[5]-3:C-4:O-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[5]N[5]2)2(CC3)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO)	O(PC[5]2C)	P(C[5]N[5]2)2(CC3)(O)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(PC[5]CO){2|C<3>,2|H<1>}	O(PC[5]2C)	109.5260	0.741	2	109.5260	0.549	2	109.5260	0.549	2	109.5260	0.549	2	110.4679	13.219	53	110.4679	13.219	53
992	818	863	0:SP3_SP2_SP2	P	C[5]	O	3:4:1:1:	3:3:4:	4:	C[5]-3:P-4:O-1:O-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[5]N[5]2)(PC[5]OO)(O)2	C[5](N[5]C[6a]C[5])2(POOP)	O(PC[5]OP)	P(C[5]N[5]2)(PC[5]OO)(O)2	C[5](N[5]C[6a]C[5])2(POOP){2|H<1>,4|C<3>}	O(PC[5]OP)	105.2140	1.301	4	105.2140	1.692	4	105.2140	1.692	4	105.2140	1.692	4	110.4679	13.219	53	110.4679	13.219	53
992	818	893	0:SP3_SP2_SP2	P	C[5]	O	3:2:2:1:	3:3:4:	3:4:	C[5]-3:O-2:O-2:O-1:	C[5,6a]-3:C[4,5]-3:P-4:	C[6a]-3:P-4:	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3)	O(C[6a]C[6a]2)(PC[5]OO)	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4])(PO3){1|C<4>,2|C<3>,4|H<1>}	O(C[6a]C[6a]2)(PC[5]OO)	100.7080	2.762	2	100.7080	7.629	2	100.7080	7.629	2	100.7080	7.629	2	100.7080	7.629	2	100.7080	7.629	2
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:1:1:	3:3:4:	4:4:	C[5]-3:O-2:O-1:O-1:	N[5]-3:N[5]-3:P-4:	P-4:C-4:	P(C[5]N[5]2)(OC)(O)2	C[5](N[5]C[5]C)2(PO3)	O(PC[5]OO)(CCHH)	P(C[5]N[5]2)(OC)(O)2	C[5](N[5]C[5]C)2(PO3){2|C<4>}	O(PC[5]OO)(CCHH)	100.8150	0.000	1	100.8150	0.000	1	100.8150	0.000	1	100.8150	0.000	1	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:1:1:	3:4:4:	4:4:	C[5]-3:O-2:O-1:O-1:	N[5]-3:C[5]-4:P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)(O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	O(PC[5]OO)(CCCH)	P(C[5]C[5]N[5])(OC)(O)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	O(PC[5]OO)(CCCH)	95.9949	1.923	2	95.9949	3.697	2	95.9949	3.697	2	95.9949	3.697	2	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:2:1:	3:3:4:	4:4:	C[5]-3:O-2:O-2:O-1:	C[5]-3:C[5]-3:P-4:	P-4:C-4:	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3)	O(PC[5]OO)(CCHH)	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3){1|C<4>,4|C<3>}	O(PC[5]OO)(CCHH)	104.5320	1.243	4	104.5320	1.546	4	104.7945	2.887	6	104.7945	2.887	6	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:2:1:	3:3:4:	4:4:	C[5]-3:O-2:O-2:O-1:	C[5]-3:C[5]-3:P-4:	P-4:C-4:	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3)	O(PC[5]OO)(CH3)	P(C[5]C[5]2)(OC)2(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3){4|C<3>}	O(PC[5]OO)(CH3)	105.3195	2.995	2	105.3195	8.968	2	104.7945	2.887	6	104.7945	2.887	6	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:2:1:	3:4:4:	4:4:	C[5]-3:O-2:O-2:O-1:	N[5]-3:C[5]-4:P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	O(PC[5]OO)(CCCH)	P(C[5]C[5]N[5])(OC)2(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	O(PC[5]OO)(CCCH)	106.5025	4.031	2	106.5025	16.251	2	106.5025	16.251	2	106.5025	16.251	2	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:2:1:	4:2:4:	4:4:	C[5]-3:O-2:O-2:O-1:	C[5]-4:N[5]-2:P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]CH)(N[5]N[5])(PO3)	O(PC[5]OO)(CH3)	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]CH)(N[5]N[5])(PO3){1|H<1>,2|C<3>}	O(PC[5]OO)(CH3)	107.1390	0.481	2	107.1390	0.231	2	105.9591	9.224	10	105.9591	9.224	10	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:2:1:	4:2:4:	4:4:	C[5]-3:O-2:O-2:O-1:	C[5]-4:N[5]-2:P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3)	O(PC[5]OO)(CH3)	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,5]C[6a]H)(N[5]N[5])(PO3){1|H<1>,4|C<3>}	O(PC[5]OO)(CH3)	106.3170	3.543	6	106.3170	12.549	6	105.9591	9.224	10	105.9591	9.224	10	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:2:2:1:	4:2:4:	4:4:	C[5]-3:O-2:O-2:O-1:	C[5]-4:N[5]-2:P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(PO3)	O(PC[5]OO)(CCHH)	P(C[5]C[5]N[5])(OC)2(O)	C[5](C[5]C[5,6]C[6a]H)(N[5]N[5])(PO3){1|C<4>,1|H<1>,3|C<3>}	O(PC[5]OO)(CCHH)	103.7055	2.515	2	103.7055	6.326	2	105.9591	9.224	10	105.9591	9.224	10	104.8319	17.206	22	104.8319	17.206	22
992	818	893	0:SP3_SP2_SP3	P	C[5]	O	3:4:4:2:	4:3:4:	4:1:	C[5]-3:C-4:C-4:O-2:	C[5]-4:C[5]-3:P-4:	P-4:H-1:	P(C[5]C[5]2)(CH3)2(OH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO)	O(PC[5]CC)(H)	P(C[5]C[5]2)(CH3)2(OH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO){2|C<3>}	O(PC[5]CC)(H)	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	104.8319	17.206	22	104.8319	17.206	22