992	818	940	0:SP3_SP-NON_SP2	P	C[5]	P	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6a]-3:C[5]-3:P-2:	C[5]-3:C[5]-3:P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	C[5](C[5]C[5]H)2(PC[6a]2P)	P(PC[6a]2C[5])2	P(C[6a]C[6a]2)2(C[5]C[5]2)(PP)	C[5](C[5]C[5]H)2(PC[6a]2P){1|H<1>,1|P<4>}	P(PC[6a]2C[5])2	120.8070	0.738	2	120.8070	0.545	2	120.8070	0.545	2	120.8070	0.545	2	120.8070	0.545	2	120.8070	0.545	2
992	818	941	0:SP3_SP2_SP2	P	C[5]	N	3:2:4:4:	4:3:4:	3:4:	C[5]-3:N-2:C-4:C-4:	C[5]-4:C[5]-3:P-4:	C[6a]-3:P-4:	P(C[5]C[5]2)(NC[6a])(CCCH)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	N(C[6a]C[6a]2)(PC[5]CC)	P(C[5]C[5]2)(NC[6a])(CCCH)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	N(C[6a]C[6a]2)(PC[5]CC)	113.5630	0.234	3	113.5630	0.055	3	113.5630	0.055	3	113.5630	0.055	3	113.9107	25.835	6	113.9107	25.835	6
992	818	941	0:SP3_SP2_SP2	P	C[5]	N	3:2:4:4:	4:3:4:	4:4:	C[5]-3:N-2:C-4:C-4:	C[5]-4:C[5]-3:P-4:	C[6]-4:P-4:	P(C[5]C[5]2)(NC[6])(CCCH)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	N(C[6]C[6]2Co)(PC[5]CC)	P(C[5]C[5]2)(NC[6])(CCCH)2	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	N(C[6]C[6]2Co)(PC[5]CC)	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	113.9107	25.835	6	113.9107	25.835	6
992	818	941	0:SP3_SP2_SP2	P	C[5]	N	3:3:3:2:	4:3:4:	4:3:	C[6a]-3:C[6a]-3:C[5]-3:N-2:	C[5]-4:C[5]-3:P-4:	P-4:C[6a]-3:	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a])	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N)	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[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N){2|C<4>}	N(PC[6a]2C[5])(C[6a]C[6a]2)	116.4850	0.000	1	116.4850	0.000	1	116.4850	0.000	1	116.4850	0.000	1	113.9107	25.835	6	113.9107	25.835	6
992	818	941	0:SP3_SP2_SP2	P	C[5]	N	3:4:4:2:	4:3:4:	4:2:	C[5]-3:C-4:C-4:N-2:	C[5]-4:C[5]-3:P-4:	P-4:N-2:	P(C[5]C[5]2)(CCCH)2(NN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN)	N(PC[5]CC)(NN)	P(C[5]C[5]2)(CCCH)2(NN)	C[5](C[5]C[5]HH)(C[5]C[5]N)(PCCN){4|H<1>}	N(PC[5]CC)(NN)	105.3700	0.000	1	105.3700	0.000	1	105.3700	0.000	1	105.3700	0.000	1	113.9107	25.835	6	113.9107	25.835	6
992	818	951	0:SP3_SP-NON_SP2	P	C[5]	H	3:4:4:1:	3:3:4:	4:	C[5]-3:B-4:B-4:H-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[5]N[5]2)(BH3)2(H)	C[5](N[5]C[6a]C[5])2(PBBH)	H(PC[5]BB)	P(C[5]N[5]2)(BH3)2(H)	C[5](N[5]C[6a]C[5])2(PBBH){2|H<1>,4|C<3>}	H(PC[5]BB)	93.6475	0.000	1	93.6475	0.000	1	93.6475	0.000	1	93.6475	0.000	1	93.6475	0.000	1	93.6475	0.000	1
992	818	956	0:SP3_SP2_SP2	P	C[5]	N	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:P-4:	P-4:C[6a]-3:H-1:	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[6a]H)	C[5](C[5]C[5]H)2(PC[6a]2N)	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[5](C[5]C[5]H)2(PC[6a]2N){2|H<1>}	N(PC[6a]2C[5])(C[6a]C[6a]2)(H)	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	107.0077	7.251	3	107.0077	7.251	3
992	818	956	0:SP3_SP2_SP2	P	C[5]	N	3:3:4:4:	3:3:4:	4:4:1:	C[5]-3:N-3:C-4:C-4:	C[5]-3:C[5]-3:P-4:	C[3x6]-4:P-4:H-1:	P(C[5]C[5]2)(NC[3x6]H)(CH3)2	C[5](C[5]C[5]C)2(PCCN)	N(C[3x6]C[6,6]3)(PC[5]CC)(H)	P(C[5]C[5]2)(NC[3x6]H)(CH3)2	C[5](C[5]C[5]C)2(PCCN){2|C<4>}	N(C[3x6]C[6,6]3)(PC[5]CC)(H)	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	107.0077	7.251	3	107.0077	7.251	3
992	818	956	0:SP3_SP2_SP2	P	C[5]	N	4:3:4:3:	3:3:4:	4:4:4:	C[5]-4:C[5]-3:B-4:N-3:	C[5]-3:N[5]-3:P-4:	P-4:C-4:C-4:	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN)	N(PC[5]2B)(CCHH)2	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	C[5](C[5]N[5]H)(N[5]C[5]C)(PC[5]BN){1|C<4>,1|S<1>}	N(PC[5]2B)(CCHH)2	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	103.9210	0.000	1	107.0077	7.251	3	107.0077	7.251	3
992	818	956	0:SP3_SP2_SP3	P	C[5]	N	3:3:3:3:	3:3:4:	4:4:1:	C[6a]-3:C[6a]-3:C[5]-3:N-3:	C[5]-3:C[5]-3:P-4:	C[3x6]-4:P-4:H-1:	P(C[6a]C[6a]2)2(C[5]C[5]2)(NC[3x6]H)	C[5](C[5]C[5]H)2(PC[6a]2N)	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[5](C[5]C[5]H)2(PC[6a]2N){2|H<1>}	N(C[3x6]C[6,6]3)(PC[6a]2C[5])(H)	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1	115.4260	0.000	1
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:1:1:	3:2:4:	4:	C[5]-3:C[5]-3:S-1:S-1:	N[5]-3:S[5]-2:P-4:	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)	S(PC[5]2S)	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>}	S(PC[5]2S)	108.9137	2.677	4	108.9137	7.167	4	108.9137	7.167	4	108.9137	7.167	4	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:S-1:S-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5,6a]C)2(PC[5]SS)	S(PC[5]2S)	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5,6a]C)2(PC[5]SS){2|C<3>}	S(PC[5]2S)	108.1580	7.377	2	108.1580	54.413	2	108.6155	37.828	4	106.9775	27.695	8	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:1:1:	3:3:4:	4:	C[5]-3:C[5]-3:S-1:S-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5]C)2(PC[5]SS)	S(PC[5]2S)	P(C[5]N[5]2)2(S)2	C[5](N[5]C[5]C)2(PC[5]SS){2|C<4>}	S(PC[5]2S)	109.0730	7.631	2	109.0730	58.234	2	108.6155	37.828	4	106.9775	27.695	8	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:S-1:S-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[5](N[5]C[6a]C[5])2(PC[6a]SS)	S(PC[6a]C[5]S)	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[5](N[5]C[6a]C[5])2(PC[6a]SS){2|H<1>,4|C<3>}	S(PC[6a]C[5]S)	106.3545	0.977	2	105.3395	19.639	4	105.3395	19.639	4	106.9775	27.695	8	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:1:1:	3:3:4:	4:	C[6a]-3:C[5]-3:S-1:S-1:	N[5]-3:N[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[5](N[5]C[6a]C[5])2(PC[6a]SS)	S(PC[6a]C[5]S)	P(C[6a]C[6a]2)(C[5]N[5]2)(S)2	C[5](N[5]C[6a]C[5])2(PC[6a]SS){4|C<3>,4|H<1>}	S(PC[6a]C[5]S)	104.3245	7.338	2	105.3395	19.639	4	105.3395	19.639	4	106.9775	27.695	8	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5,6a]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)	S(PC[6a]2C[5])	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	S(PC[6a]2C[5])	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	113.3750	0.586	6	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5]-3:N[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S)	S(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]P)(N[5]C[5]C)(PC[6a]2S){1|C<4>,1|S<1>}	S(PC[6a]2C[5])	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	113.3750	0.586	6	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	N[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S)	S(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[6a]2S){1|S<1>,3|C<3>}	S(PC[6a]2C[5])	113.6930	0.684	2	113.6930	0.469	2	113.5267	0.317	3	113.3750	0.586	6	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:3:4:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	N[5]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S)	S(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](N[5]C[6a]C[5])(C[5]N[5]P)(PC[6a]2S){1|S<1>,3|C<3>}	S(PC[6a]2C[5])	113.1940	0.000	1	113.1940	0.000	1	113.5267	0.317	3	113.3750	0.586	6	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6a]-3:C[5]-3:S-1:	C[5]-3:C[5]-3:P-4:	P-4:	P(C[6a]C[6a]2)2(C[5]C[5]2)(S)	C[5](C[5]C[5,5]H)2(PC[6a]2S)	S(PC[6a]2C[5])	P(C[6a]C[6a]2)2(C[5]C[5]2)(S)	C[5](C[5]C[5,5]H)2(PC[6a]2S){2|P<4>}	S(PC[6a]2C[5])	113.5790	0.000	1	113.5790	0.000	1	113.5790	0.000	1	113.3750	0.586	6	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5]-3:P-4:N[5]-2:	P-4:	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]P)(PC[6a]2S)(N[5]N[5])	S(PC[6a]2C[5])	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]P)(PC[6a]2S)(N[5]N[5]){2|Al<4>}	S(PC[6a]2C[5])	112.5420	0.000	1	112.5420	0.000	1	112.5420	0.000	1	111.6530	1.581	2	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:3:3:1:	3:4:2:	4:	C[5]-3:C[6a]-3:C[6a]-3:S-1:	C[5]-3:P-4:S[5]-2:	P-4:	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]H)(PC[6a]2S)(S[5]C[5])	S(PC[6a]2C[5])	P(C[5]C[5]S[5])(C[6a]C[6a]2)2(S)	C[5](C[5]N[5]H)(PC[6a]2S)(S[5]C[5]){1|C<4>,1|S<1>}	S(PC[6a]2C[5])	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	111.6530	1.581	2	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	3:4:4:1:	3:3:4:	4:	C[5]-3:C-4:C-4:S-1:	C[5,6a]-3:C[5]-3:P-4:	P-4:	P(C[5]C[5,6a]C[5])(CCCH)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)	S(PC[5]CC)	P(C[5]C[5,6a]C[5])(CCCH)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS){2|C<3>,3|H<1>}	S(PC[5]CC)	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	110.6398	22.452	23	110.6398	22.452	23
992	818	977	0:SP3_SP-NON_SP2	P	C[5]	S	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6a]-3:C[5]-3:S-1:	P-4:C[5]-3:C[5]-3:	P-4:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]2)(S)	C[5](PC[6a]C[5]S)(C[5]C[5]Fe)(C[5]C[5]H)	S(PC[6a]C[5]2)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(C[5]C[5]2)(S)	C[5](PC[6a]C[5]S)(C[5]C[5]Fe)(C[5]C[5]H){3|H<1>}	S(PC[6a]C[5]2)	116.5785	1.645	2	116.5785	2.707	2	116.5785	2.707	2	116.5785	2.707	2	110.6398	22.452	23	110.6398	22.452	23
992	818	992	0:SP3_SP2_SP3	P	C[5]	P	3:4:1:1:	3:3:4:	3:4:1:1:	C[5]-3:P-4:O-1:O-1:	N[5]-3:N[5]-3:P-4:	C[5]-3:P-4:O-1:O-1:	P(C[5]N[5]2)(PC[5]OO)(O)2	C[5](N[5]C[6a]C[5])2(POOP)	P(C[5]N[5]2)(PC[5]OO)(O)2	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>}	P(C[5]N[5]2)(PC[5]OO)(O)2	102.2905	0.298	2	102.2905	0.089	2	102.2905	0.089	2	102.2905	0.089	2	102.2905	0.089	2	102.2905	0.089	2
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	1:1:1:1:	4:	4:	F-1:F-1:F-1:F-1:	P-4:	P-4:	P(F)4	F(PF3)	F(PF3)	P(F)4	F(PF3)	F(PF3)	127.7022	54.484	2	127.7022	2968.475	2	127.7022	2968.475	2	107.0349	525.167	9	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	1:1:1:1:	4:	4:	F-1:F-1:F-1:H-1:	P-4:	P-4:	P(F)3(H)	F(PFFH)	F(PFFH)	P(F)3(H)	F(PFFH)	F(PFFH)	106.1380	0.185	3	106.1380	0.034	3	106.1380	0.034	3	107.0349	525.167	9	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	1:1:1:1:	4:	4:	F-1:F-1:O-1:O-1:	P-4:	P-4:	P(F)2(O)2	F(PFOO)	F(PFOO)	P(F)2(O)2	F(PFOO)	F(PFOO)	97.3739	0.960	4	97.3739	0.921	4	97.3739	0.921	4	107.0349	525.167	9	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:1:1:1:	4:	4:	N-2:F-1:F-1:O-1:	P-4:	P-4:	P(NC)(F)2(O)	F(PFNO)	F(PFNO)	P(NC)(F)2(O)	F(PFNO)	F(PFNO)	99.4345	0.000	1	99.4345	0.000	1	98.9982	0.179	3	99.2774	0.660	6	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:1:1:1:	4:	4:	N-2:F-1:F-1:O-1:	P-4:	P-4:	P(NN)(F)2(O)	F(PFNO)	F(PFNO)	P(NN)(F)2(O)	F(PFNO)	F(PFNO)	98.7801	0.269	2	98.7801	0.072	2	98.9982	0.179	3	99.2774	0.660	6	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	P-4:	P-4:	P(OIr)(F)2(O)	F(PFOO)	F(PFOO)	P(OIr)(F)2(O)	F(PFOO)	F(PFOO)	99.3140	0.000	1	99.3140	0.000	1	99.5565	1.237	3	99.2774	0.660	6	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	P-4:	P-4:	P(OP)(F)2(O)	F(PFOO)	F(PFOO)	P(OP)(F)2(O)	F(PFOO)	F(PFOO)	100.7700	0.000	1	100.7700	0.000	1	99.5565	1.237	3	99.2774	0.660	6	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	P-4:	P-4:	P(ORe)(F)2(O)	F(PFOO)	F(PFOO)	P(ORe)(F)2(O)	F(PFOO)	F(PFOO)	98.5856	0.000	1	98.5856	0.000	1	99.5565	1.237	3	99.2774	0.660	6	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:2:1:1:	4:	4:	N-2:N-2:F-1:F-1:	P-4:	P-4:	P(NP)2(F)2	F(PFNN)	F(PFNN)	P(NP)2(F)2	F(PFNN)	F(PFNN)	98.6432	0.503	4	98.6432	0.253	4	98.6432	0.253	4	98.4371	0.402	5	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	2:2:1:1:	4:	4:	O-2:O-2:F-1:F-1:	P-4:	P-4:	P(OIr)2(F)2	F(PFOO)	F(PFOO)	P(OIr)2(F)2	F(PFOO)	F(PFOO)	97.6130	0.000	1	97.6130	0.000	1	97.6130	0.000	1	98.4371	0.402	5	102.0803	198.432	24	102.0803	198.432	24
992	830	830	0:SP3_SP-NON_SP-NON	P	F	F	4:1:1:1:	4:	4:	C-4:F-1:F-1:O-1:	P-4:	P-4:	P(CHHP)(F)2(O)	F(PCFO)	F(PCFO)	P(CHHP)(F)2(O)	F(PCFO)	F(PCFO)	99.6910	0.378	4	99.6910	0.143	4	99.6910	0.143	4	99.6910	0.143	4	102.0803	198.432	24	102.0803	198.432	24
992	830	863	0:SP3_SP-NON_SP2	P	F	O	1:1:1:1:	4:	4:	F-1:F-1:O-1:O-1:	P-4:	P-4:	P(F)2(O)2	F(PFOO)	O(PFFO)	P(F)2(O)2	F(PFOO)	O(PFFO)	108.5182	2.180	16	108.5182	4.754	16	108.5182	4.754	16	105.1825	5.310	80	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	1:1:1:1:	4:	4:	F-1:O-1:O-1:O-1:	P-4:	P-4:	P(F)(O)3	F(PO3)	O(PFOO)	P(F)(O)3	F(PO3)	O(PFOO)	104.3485	1.412	64	104.3485	1.995	64	104.3485	1.995	64	105.1825	5.310	80	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	N-2:F-1:F-1:O-1:	P-4:	P-4:	P(NC)(F)2(O)	F(PFNO)	O(PFFN)	P(NC)(F)2(O)	F(PFNO)	O(PFFN)	114.4965	0.199	2	114.4965	0.039	2	114.7060	0.051	6	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	N-2:F-1:F-1:O-1:	P-4:	P-4:	P(NN)(F)2(O)	F(PFNO)	O(PFFN)	P(NN)(F)2(O)	F(PFNO)	O(PFFN)	114.8107	0.165	4	114.8107	0.027	4	114.7060	0.051	6	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	P-4:	P-4:	P(OIr)(F)2(O)	F(PFOO)	O(PFFO)	P(OIr)(F)2(O)	F(PFOO)	O(PFFO)	109.6130	0.881	2	109.6130	0.776	2	112.3012	10.319	6	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	P-4:	P-4:	P(OP)(F)2(O)	F(PFOO)	O(PFFO)	P(OP)(F)2(O)	F(PFOO)	O(PFFO)	116.2525	0.370	2	116.2525	0.137	2	112.3012	10.319	6	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	O-2:F-1:F-1:O-1:	P-4:	P-4:	P(ORe)(F)2(O)	F(PFOO)	O(PFFO)	P(ORe)(F)2(O)	F(PFOO)	O(PFFO)	111.0380	1.346	2	111.0380	1.813	2	112.3012	10.319	6	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	O-2:F-1:O-1:O-1:	P-4:	P-4:	P(OH)(F)(O)2	F(PO3)	O(PFOO)	P(OH)(F)(O)2	F(PO3)	O(PFOO)	106.9357	0.879	6	106.9357	0.772	6	107.3606	0.848	10	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	O-2:F-1:O-1:O-1:	P-4:	P-4:	P(OP)(F)(O)2	F(PO3)	O(PFOO)	P(OP)(F)(O)2	F(PO3)	O(PFOO)	107.9980	0.595	4	107.9980	0.354	4	107.3606	0.848	10	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:1:1:1:	4:	4:	O-2:F-1:O-1:S-1:	P-4:	P-4:	P(OC[6])(F)(O)(S)	F(POOS)	O(PFOS)	P(OC[6])(F)(O)(S)	F(POOS)	O(PFOS)	105.5500	0.000	1	105.5500	0.000	1	105.5500	0.000	1	110.4869	14.007	23	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	2:2:1:1:	4:	4:	O-2:O-2:F-1:O-1:	P-4:	P-4:	P(OZn)2(F)(O)	F(PO3)	O(PFOO)	P(OZn)2(F)(O)	F(PO3)	O(PFOO)	105.0010	0.000	1	105.0010	0.000	1	105.0010	0.000	1	105.0010	0.000	1	106.9132	15.220	112	106.9132	15.220	112
992	830	863	0:SP3_SP-NON_SP2	P	F	O	4:1:1:1:	4:	4:	C-4:F-1:F-1:O-1:	P-4:	P-4:	P(CHHP)(F)2(O)	F(PCFO)	O(PCFF)	P(CHHP)(F)2(O)	F(PCFO)	O(PCFF)	114.1846	0.502	8	114.1846	0.252	8	114.1846	0.252	8	114.1846	0.252	8	106.9132	15.220	112	106.9132	15.220	112
992	830	893	0:SP3_SP-NON_SP3	P	F	O	2:1:1:1:	4:	4:1:	O-2:F-1:O-1:O-1:	P-4:	P-4:H-1:	P(OH)(F)(O)2	F(PO3)	O(PFOO)(H)	P(OH)(F)(O)2	F(PO3)	O(PFOO)(H)	100.7424	2.425	3	100.7424	5.879	3	100.7424	5.879	3	100.7424	5.879	3	100.2129	6.134	9	100.2129	6.134	9
992	830	893	0:SP3_SP-NON_SP3	P	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:O-1:	P-4:	P-4:P-4:	P(OP)(F)2(O)	F(PFOO)	O(PFFO)2	P(OP)(F)2(O)	F(PFOO)	O(PFFO)2	100.6855	0.848	2	100.6855	0.719	2	100.6855	0.719	2	99.0769	3.321	5	100.2129	6.134	9	100.2129	6.134	9
992	830	893	0:SP3_SP-NON_SP3	P	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:O-1:O-1:	P-4:	P-4:P-4:	P(OP)(F)(O)2	F(PO3)	O(PFOO)2	P(OP)(F)(O)2	F(PO3)	O(PFOO)2	98.8133	0.123	2	98.8133	0.015	2	98.8133	0.015	2	99.0769	3.321	5	100.2129	6.134	9	100.2129	6.134	9
992	830	893	0:SP3_SP-NON_SP3	P	F	O	2:1:1:1:	4:	4:4:	O-2:F-1:O-1:S-1:	P-4:	C[6]-4:P-4:	P(OC[6])(F)(O)(S)	F(POOS)	O(C[6]C[6]2H)(PFOS)	P(OC[6])(F)(O)(S)	F(POOS)	O(C[6]C[6]2H)(PFOS)	96.3870	0.000	1	96.3870	0.000	1	96.3870	0.000	1	99.0769	3.321	5	100.2129	6.134	9	100.2129	6.134	9
992	830	893	0:SP3_SP-NON_SP3	P	F	O	2:2:2:1:	4:	4:4:	N-2:N-2:O-2:F-1:	P-4:	C-4:P-4:	P(NP)2(OC)(F)	F(PNNO)	O(CCHH)(PFNN)	P(NP)2(OC)(F)	F(PNNO)	O(CCHH)(PFNN)	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	104.3040	0.000	1	100.2129	6.134	9	100.2129	6.134	9
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:1:1:1:	4:	4:2:	N-2:F-1:F-1:O-1:	P-4:	P-4:C-2:	P(NC)(F)2(O)	F(PFNO)	N(PFFO)(CO)	P(NC)(F)2(O)	F(PFNO)	N(PFFO)(CO)	102.8905	2.149	2	102.8905	4.618	2	102.8905	4.618	2	102.7745	0.939	6	106.5507	8.039	24	106.5507	8.039	24
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:1:1:1:	4:	4:2:	N-2:F-1:F-1:O-1:	P-4:	P-4:N-2:	P(NN)(F)2(O)	F(PFNO)	N(PFFO)(NN)	P(NN)(F)2(O)	F(PFNO)	N(PFFO)(NN)	102.7165	0.112	4	102.7165	0.013	4	102.7165	0.013	4	102.7745	0.939	6	106.5507	8.039	24	106.5507	8.039	24
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:2:1:1:	4:	4:4:	N-2:N-2:F-1:F-1:	P-4:	P-4:P-4:	P(NP)2(F)2	F(PFNN)	N(PFFN)(PFNO)	P(NP)2(F)2	F(PFNN)	N(PFFN)(PFNO)	108.4085	3.277	2	108.4085	10.742	2	108.0207	3.416	16	108.0207	3.416	16	106.5507	8.039	24	106.5507	8.039	24
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:2:1:1:	4:	4:4:	N-2:N-2:F-1:F-1:	P-4:	P-4:P-4:	P(NP)2(F)2	F(PFNN)	N(PFFN)(PNOO)	P(NP)2(F)2	F(PFNN)	N(PFFN)(PNOO)	108.7407	2.138	4	108.7407	4.571	4	108.0207	3.416	16	108.0207	3.416	16	106.5507	8.039	24	106.5507	8.039	24
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:2:1:1:	4:	4:4:	N-2:N-2:F-1:F-1:	P-4:	P-4:P-4:	P(NP)2(F)2	F(PFNN)	N(PFFN)2	P(NP)2(F)2	F(PFNN)	N(PFFN)2	107.6551	1.601	10	107.6551	2.564	10	108.0207	3.416	16	108.0207	3.416	16	106.5507	8.039	24	106.5507	8.039	24
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:2:2:1:	4:	4:4:	N-2:N-2:O-2:F-1:	P-4:	P-4:P-4:	P(NP)2(OC)(F)	F(PNNO)	N(PFFN)(PFNO)	P(NP)2(OC)(F)	F(PNNO)	N(PFFN)(PFNO)	108.1740	0.000	1	108.1740	0.000	1	106.1190	8.446	2	106.1190	8.446	2	106.5507	8.039	24	106.5507	8.039	24
992	830	941	0:SP3_SP-NON_SP2	P	F	N	2:2:2:1:	4:	4:4:	N-2:N-2:O-2:F-1:	P-4:	P-4:P-4:	P(NP)2(OC)(F)	F(PNNO)	N(PFNO)2	P(NP)2(OC)(F)	F(PNNO)	N(PFNO)2	104.0640	0.000	1	104.0640	0.000	1	106.1190	8.446	2	106.1190	8.446	2	106.5507	8.039	24	106.5507	8.039	24
992	830	951	0:SP3_SP-NON_SP-NON	P	F	H	1:1:1:1:	4:	4:	F-1:F-1:F-1:H-1:	P-4:	P-4:	P(F)3(H)	F(PFFH)	H(PF3)	P(F)3(H)	F(PFFH)	H(PF3)	112.6107	2.650	3	112.6107	7.021	3	112.6107	7.021	3	112.6107	7.021	3	112.6107	7.021	3	112.6107	7.021	3
992	830	977	0:SP3_SP-NON_SP-NON	P	F	S	2:1:1:1:	4:	4:	O-2:F-1:O-1:S-1:	P-4:	P-4:	P(OC[6])(F)(O)(S)	F(POOS)	S(PFOO)	P(OC[6])(F)(O)(S)	F(POOS)	S(PFOO)	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1	109.7650	0.000	1
992	846	863	0:SP3_SP2_SP2	P	C[4]	O	3:3:3:1:	4:3:4:	4:	C[4]-3:C[6a]-3:C[6a]-3:O-1:	C[4,5]-4:C[4]-3:P-4:	P-4:	P(C[4]C[4,5]C[4])(C[6a]C[6a]2)2(O)	C[4](C[4,5]C[5,6a]2C[4])(C[4]C[4]Cl)(PC[6a]2O)	O(PC[6a]2C[4])	P(C[4]C[4,5]C[4])(C[6a]C[6a]2)2(O)	C[4](C[4,5]C[5,6a]2C[4])(C[4]C[4]Cl)(PC[6a]2O){1|C<2>,4|C<3>}	O(PC[6a]2C[4])	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1	112.2370	0.000	1
992	846	941	0:SP3_SP2_SP2	P	C[4]	N	3:3:3:2:	4:2:4:	4:4:	C[4]-3:C[6a]-3:C[6a]-3:N-2:	P[4]-4:As[4]-2:P-4:	P-4:Si-4:	P(C[4]As[4]P[4])(C[6a]C[6a]2)2(NSi)	C[4](P[4]C[6a]2N[4])(As[4]N[4])(PC[6a]2N)	N(PC[6a]2C[4])(SiC3)	P(C[4]As[4]P[4])(C[6a]C[6a]2)2(NSi)	C[4](P[4]C[6a]2N[4])(As[4]N[4])(PC[6a]2N){1|Si<4>,4|C<3>}	N(PC[6a]2C[4])(SiC3)	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	108.2320	0.000	1	114.0775	68.340	2	114.0775	68.340	2
992	846	941	0:SP3_SP2_SP2	P	C[4]	N	3:3:3:2:	4:3:4:	4:4:	C[4]-3:C[6a]-3:C[6a]-3:N-2:	P[4]-4:Ge[4]-3:P-4:	P-4:Si-4:	P(C[4]Ge[4]P[4])(C[6a]C[6a]2)2(NSi)	C[4](P[4]C[6a]2N[4])(Ge[4]N[4]Mn)(PC[6a]2N)	N(PC[6a]2C[4])(SiC3)	P(C[4]Ge[4]P[4])(C[6a]C[6a]2)2(NSi)	C[4](P[4]C[6a]2N[4])(Ge[4]N[4]Mn)(PC[6a]2N){1|Si<4>,4|C<3>}	N(PC[6a]2C[4])(SiC3)	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	114.0775	68.340	2	114.0775	68.340	2
992	856	856	0:SP3_SP2_SP2	P	N[6]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:O-1:O-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:P-4:	P(N[6]C[6]2)2(O)2	N[6](C[6]C[6]H)2(PN[6]OO)	N[6](C[6]C[6]H)2(PN[6]OO)	P(N[6]C[6]2)2(O)2	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	99.0629	1.810	3	99.0629	3.277	3	99.0629	3.277	3	97.8245	4.830	5	98.8093	9.683	6	98.8093	9.683	6
992	856	856	0:SP3_SP2_SP2	P	N[6]	N[6]	3:3:1:1:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:S-1:S-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:P-4:	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]H)2(PN[6]SS)	N[6](C[6]C[6]H)2(PN[6]SS)	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	95.9669	1.125	2	95.9669	1.266	2	95.9669	1.266	2	97.8245	4.830	5	98.8093	9.683	6	98.8093	9.683	6
992	856	856	0:SP3_SP2_SP2	P	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N[6](C[6]C[6]HH)2(PN[6]NO)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	103.7330	0.000	1	103.7330	0.000	1	103.7330	0.000	1	103.7330	0.000	1	98.8093	9.683	6	98.8093	9.683	6
992	856	856	0:SP3_SP2_SP3	P	N[6]	N[6]	3:3:2:3:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-2:N-3:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN)	N[6](C[6]C[6]HH)2(PN[6]NN)	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	108.7884	23.209	7	108.7884	23.209	7
992	856	856	0:SP3_SP2_SP3	P	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N[6](C[6]C[6]HH)2(PN[6]NO)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	103.9010	0.000	1	103.9010	0.000	1	106.1712	4.840	5	106.1712	4.840	5	108.7884	23.209	7	108.7884	23.209	7
992	856	856	0:SP3_SP2_SP3	P	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N[6](C[6]C[6]HH)2(PN[6]NO)	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	106.7387	2.075	4	106.7387	4.305	4	106.1712	4.840	5	106.1712	4.840	5	108.7884	23.209	7	108.7884	23.209	7
992	856	856	0:SP3_SP2_SP3	P	N[6]	N[6]	3:3:3:3:	4:4:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:C-3:	P-4:C[6]-4:C[6]-4:	P-4:C[6]-4:C[6]-4:	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	108.7884	23.209	7	108.7884	23.209	7
992	856	856	0:SP3_SP3_SP3	P	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:S-1:S-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]HH)2(PN[6]SS)	N[6](C[6]C[6]HH)2(PN[6]SS)	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]HH)2(PN[6]SS){1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]SS){1|O<2>,4|H<1>}	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	106.2440	10.632	7	106.2440	10.632	7
992	856	856	0:SP3_SP3_SP3	P	N[6]	N[6]	3:3:2:2:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN)	N[6](C[6]C[6]HH)2(PN[6]NN)	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	110.0290	0.000	1	107.6290	17.468	3	107.6290	17.468	3	107.6290	17.468	3	106.2440	10.632	7	106.2440	10.632	7
992	856	856	0:SP3_SP3_SP3	P	N[6]	N[6]	3:3:2:2:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN)	N[6](C[6]C[6]HH)2(PN[6]NN)	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NN){1|O<2>,4|H<1>}	106.4290	5.128	2	107.6290	17.468	3	107.6290	17.468	3	107.6290	17.468	3	106.2440	10.632	7	106.2440	10.632	7
992	856	856	0:SP3_SP3_SP3	P	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N[6](C[6]C[6]HH)2(PN[6]NO)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	107.2495	0.770	2	107.2495	0.593	2	105.6003	8.456	3	105.6003	8.456	3	106.2440	10.632	7	106.2440	10.632	7
992	856	856	0:SP3_SP3_SP3	P	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:P-4:	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N[6](C[6]C[6]HH)2(PN[6]NO)	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	102.3020	0.000	1	102.3020	0.000	1	105.6003	8.456	3	105.6003	8.456	3	106.2440	10.632	7	106.2440	10.632	7
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:2:2:1:	3:4:4:	4:	N[6]-3:O-2:O-2:O-1:	C[6,6a]-3:C[6]-4:P-4:	P-4:	P(N[6]C[6,6a]C[6])(OC)2(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	O(PN[6]OO)	P(N[6]C[6,6a]C[6])(OC)2(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	O(PN[6]OO)	112.3665	1.269	2	112.3665	1.611	2	112.3665	1.611	2	112.3665	1.611	2	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:N[6]-3:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(PC[6a]OO)	O(PC[6a]N[6]O)	P(C[6a]C[6a]2)(N[6]C[6]2)(O)2	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	O(PC[6a]N[6]O)	103.3817	0.815	4	103.3817	0.664	4	103.3817	0.664	4	105.7832	2.641	16	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:3:1:1:	3:3:4:	4:	N[6]-3:N[6]-3:O-1:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(N[6]C[6]2)2(O)2	N[6](C[6]C[6]H)2(PN[6]OO)	O(PN[6]2O)	P(N[6]C[6]2)2(O)2	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	O(PN[6]2O)	106.5837	0.790	12	106.5837	0.624	12	106.5837	0.624	12	105.7832	2.641	16	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]H)2(PC[6a]OO)	O(PC[6a]N[6]O)	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	O(PC[6a]N[6]O)	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	106.1660	0.000	1	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:3:2:1:	4:4:4:	4:	N[6]-3:N-3:O-2:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO)	O(PN[6]NO)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	O(PN[6]NO)	111.6222	0.733	4	111.6222	0.538	4	111.6222	0.538	4	111.6222	0.538	4	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	O(PN[6]2N)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	O(PN[6]2N)	113.9477	5.308	3	113.9477	28.170	3	112.9667	11.043	7	112.9667	11.043	7	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP2	P	N[6]	O	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	O(PN[6]2N)	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	O(PN[6]2N)	112.2310	1.274	4	112.2310	1.623	4	112.9667	11.043	7	112.9667	11.043	7	108.6895	15.176	30	108.6895	15.176	30
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:2:2:1:	4:4:4:	4:	N[6]-3:O-2:O-2:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3)	O(PN[6]OO)	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3){1|N<3>,4|H<1>}	O(PN[6]OO)	114.7140	0.000	1	114.6115	0.021	2	114.6115	0.021	2	114.6115	0.021	2	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:2:2:1:	4:4:4:	4:	N[6]-3:O-2:O-2:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3)	O(PN[6]OO)	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3){1|O<2>,4|H<1>}	O(PN[6]OO)	114.5090	0.000	1	114.6115	0.021	2	114.6115	0.021	2	114.6115	0.021	2	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:3:2:1:	4:4:4:	4:	N[6]-3:N-3:O-2:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO)	O(PN[6]NO)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	O(PN[6]NO)	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(C[6a]C[6a]2)2(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(PC[6a]2O)	O(PC[6a]2N[6])	P(C[6a]C[6a]2)2(N[6]C[6]2)(O)	N[6](C[6]C[6]HH)2(PC[6a]2O){1|C<4>,4|H<1>}	O(PC[6a]2N[6])	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	113.5148	11.896	13	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:3:3:1:	4:4:4:	4:	N[6]-3:N-3:N-3:O-1:	C[6,6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6,6]C[6])(NCC)2(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO)	O(PN[6]NN)	P(N[6]C[6,6]C[6])(NCC)2(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO){2|C<4>,2|H<1>,3|C<3>}	O(PN[6]NN)	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	113.5148	11.896	13	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	O(PN[6]2N)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	O(PN[6]2N)	114.4283	3.217	4	115.1506	10.369	5	113.1575	10.351	11	113.5148	11.896	13	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	O(PN[6]2N)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	O(PN[6]2N)	118.0400	0.000	1	115.1506	10.369	5	113.1575	10.351	11	113.5148	11.896	13	113.4968	10.089	16	113.4968	10.089	16
992	856	863	0:SP3_SP2_SP3	P	N[6]	O	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	O(PN[6]2N)	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	O(PN[6]2N)	111.4967	2.264	6	111.4967	5.124	6	113.1575	10.351	11	113.5148	11.896	13	113.4968	10.089	16	113.4968	10.089	16
992	856	893	0:SP3_SP2_SP2	P	N[6]	O	3:3:2:1:	4:4:4:	3:4:	N[6]-3:N-3:O-2:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO)	O(C[6a]C[6a]2)(PN[6]NO)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(PN[6]NO)	104.8290	0.500	4	104.8290	0.250	4	104.8290	0.250	4	104.8290	0.250	4	104.8290	0.250	4	104.8290	0.250	4
992	856	893	0:SP3_SP2_SP3	P	N[6]	O	3:2:2:1:	3:4:4:	4:4:	N[6]-3:O-2:O-2:O-1:	C[6,6a]-3:C[6]-4:P-4:	P-4:C-4:	P(N[6]C[6,6a]C[6])(OC)2(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	O(PN[6]OO)(CCHH)	P(N[6]C[6,6a]C[6])(OC)2(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	O(PN[6]OO)(CCHH)	106.4300	2.892	4	106.4300	8.363	4	106.4300	8.363	4	106.4300	8.363	4	105.6508	6.501	10	105.6508	6.501	10
992	856	893	0:SP3_SP2_SP3	P	N[6]	O	3:2:2:1:	4:4:4:	3:4:	N[6]-3:O-2:O-2:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3)	O(C[6a]C[6a]2)(PN[6]OO)	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3){1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(PN[6]OO)	105.0220	1.666	2	105.0280	3.324	4	105.0280	3.324	4	105.0280	3.324	4	105.6508	6.501	10	105.6508	6.501	10
992	856	893	0:SP3_SP2_SP3	P	N[6]	O	3:2:2:1:	4:4:4:	3:4:	N[6]-3:O-2:O-2:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3)	O(C[6a]C[6a]2)(PN[6]OO)	P(N[6]C[6]2)(OC[6a])2(O)	N[6](C[6]C[6]HH)2(PO3){1|O<2>,4|H<1>}	O(C[6a]C[6a]2)(PN[6]OO)	105.0340	2.683	2	105.0280	3.324	4	105.0280	3.324	4	105.0280	3.324	4	105.6508	6.501	10	105.6508	6.501	10
992	856	893	0:SP3_SP2_SP3	P	N[6]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:N[6]-3:O-2:O-1:	C[6]-3:C[6]-3:P-4:	P-4:B-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]H)2(PC[6a]OO)	O(PC[6a]N[6]O)(BC[6a]3)	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	O(PC[6a]N[6]O)(BC[6a]3)	102.2340	0.000	1	102.2340	0.000	1	102.2340	0.000	1	102.2340	0.000	1	105.6508	6.501	10	105.6508	6.501	10
992	856	893	0:SP3_SP2_SP3	P	N[6]	O	3:3:2:1:	4:4:4:	3:4:	N[6]-3:N-3:O-2:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO)	O(C[6a]C[6a]2)(PN[6]NO)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	O(C[6a]C[6a]2)(PN[6]NO)	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	108.4420	0.000	1	105.6508	6.501	10	105.6508	6.501	10
992	856	893	0:SP3_SP3_SP3	P	N[6]	O	3:2:2:1:	4:4:4:	4:4:	N[6]-3:O-2:O-2:S-1:	C[6]-4:C[6]-4:P-4:	P-4:C-4:	P(N[6]C[6]2)(OC)2(S)	N[6](C[6]C[6]HH)2(POOS)	O(PN[6]OS)(CCCH)	P(N[6]C[6]2)(OC)2(S)	N[6](C[6]C[6]HH)2(POOS){1|N<3>,4|H<1>}	O(PN[6]OS)(CCCH)	104.2630	0.843	2	104.2630	0.710	2	104.2630	0.710	2	104.2630	0.710	2	104.2630	0.710	2	104.2630	0.710	2
992	856	909	0:SP3_SP2_SP3	P	N[6]	S	3:2:1:1:	3:3:4:	4:2:	N[6]-3:S-2:S-1:S-1:	C[6]-3:C[6]-3:P-4:	P-4:S-2:	P(N[6]C[6]2)(SS)(S)2	N[6](C[6]C[6]H)2(PS3)	S(PN[6]SS)(SS)	P(N[6]C[6]2)(SS)(S)2	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	S(PN[6]SS)(SS)	97.6680	0.782	2	97.6680	0.612	2	97.6680	0.612	2	97.6680	0.612	2	98.8561	1.002	6	98.8561	1.002	6
992	856	909	0:SP3_SP2_SP3	P	N[6]	S	3:2:1:1:	3:3:4:	4:4:	N[6]-3:S-2:S-1:S-1:	C[6]-3:C[6]-3:P-4:	P-4:P-4:	P(N[6]C[6]2)(SP)(S)2	N[6](C[6]C[6]H)2(PS3)	S(PN[6]SS)2	P(N[6]C[6]2)(SP)(S)2	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	S(PN[6]SS)2	99.4501	0.235	4	99.4501	0.055	4	99.4501	0.055	4	99.4501	0.055	4	98.8561	1.002	6	98.8561	1.002	6
992	856	930	0:SP3_SP2_SP2	P	N[6]	C	3:3:3:3:	4:4:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-3:	P-4:C[6]-4:C[6]-4:	C[4]-3:P-4:H-1:	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	C(C[4]C[4]N[4])(PC[6a]N[6]2)(H)	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C(C[4]C[4]N[4])(PC[6a]N[6]2)(H)	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	105.9410	0.000	1	109.7245	28.630	2	109.7245	28.630	2
992	856	930	0:SP3_SP2_SP2	P	N[6]	C	3:3:3:3:	4:4:4:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:P-4:	P-4:P-4:Ga-4:	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	N[6](C[6]C[6]HH)2(PC[6a]2C)	C(PC[6a]2N[6])2(GaCl3)	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	N[6](C[6]C[6]HH)2(PC[6a]2C){1|C<4>,4|H<1>}	C(PC[6a]2N[6])2(GaCl3)	113.5080	0.000	1	113.5080	0.000	1	113.5080	0.000	1	113.5080	0.000	1	109.7245	28.630	2	109.7245	28.630	2
992	856	930	0:SP3_SP2_SP3	P	N[6]	C	3:3:3:3:	4:4:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-3:	P-4:C[6]-4:C[6]-4:	C[4]-3:P-4:H-1:	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	C(C[4]C[4]N[4])(PC[6a]N[6]2)(H)	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	C(C[4]C[4]N[4])(PC[6a]N[6]2)(H)	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	109.7860	0.000	1	112.3645	13.297	2	112.3645	13.297	2
992	856	930	0:SP3_SP2_SP3	P	N[6]	C	3:3:3:3:	4:4:4:	4:4:4:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:P-4:	P-4:P-4:Ga-4:	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	N[6](C[6]C[6]HH)2(PC[6a]2C)	C(PC[6a]2N[6])2(GaCl3)	P(C[6a]C[6a]2)2(N[6]C[6]2)(CGaP)	N[6](C[6]C[6]HH)2(PC[6a]2C){1|C<4>,4|H<1>}	C(PC[6a]2N[6])2(GaCl3)	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	114.9430	0.000	1	112.3645	13.297	2	112.3645	13.297	2
992	856	941	0:SP3_SP2_SP2	P	N[6]	N	3:3:2:3:	4:4:4:	3:4:	N[6]-3:N[6]-3:N-2:N-3:	C[6]-4:C[6]-4:P-4:	C[3]-3:P-4:	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN)	N(C[3]C[3]2)(PN[6]2N)	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N(C[3]C[3]2)(PN[6]2N)	102.1500	0.000	1	102.1500	0.000	1	102.1500	0.000	1	102.1500	0.000	1	102.1500	0.000	1	102.1500	0.000	1
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:	N[6]-3:N-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:P-4:	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3)	N(PN[6]2N)(PN[6]NN)	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3){1|C<4>,4|H<1>}	N(PN[6]2N)(PN[6]NN)	106.6340	4.794	2	106.1273	11.489	4	106.1273	11.489	4	106.7964	13.521	16	107.1934	13.277	18	107.1934	13.277	18
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:	N[6]-3:N-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:P-4:	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3)	N(PN[6]2N)(PN[6]NN)	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3){1|O<2>,4|H<1>}	N(PN[6]2N)(PN[6]NN)	105.6205	3.234	2	106.1273	11.489	4	106.1273	11.489	4	106.7964	13.521	16	107.1934	13.277	18	107.1934	13.277	18
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:	N[6]-3:N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:P-4:	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN)	N(PN[6]2N)(PClNO)	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|O<2>,4|H<1>}	N(PN[6]2N)(PClNO)	108.9183	5.992	4	108.9183	35.909	4	107.0194	15.088	12	106.7964	13.521	16	107.1934	13.277	18	107.1934	13.277	18
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:	N[6]-3:N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:P-4:	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN)	N(PN[6]2N)(PN[6]NN)	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N(PN[6]2N)(PN[6]NN)	106.1423	2.434	4	106.0700	5.229	8	107.0194	15.088	12	106.7964	13.521	16	107.1934	13.277	18	107.1934	13.277	18
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:	N[6]-3:N[6]-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:P-4:	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN)	N(PN[6]2N)(PN[6]NN)	P(N[6]C[6]2)2(NP)2	N[6](C[6]C[6]HH)2(PN[6]NN){1|O<2>,4|H<1>}	N(PN[6]2N)(PN[6]NN)	105.9977	2.502	4	106.0700	5.229	8	107.0194	15.088	12	106.7964	13.521	16	107.1934	13.277	18	107.1934	13.277	18
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:3:	4:4:4:	3:4:	N[6]-3:N[6]-3:N-2:N-3:	C[6]-4:C[6]-4:P-4:	C[3]-3:P-4:	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN)	N(C[3]C[3]2)(PN[6]2N)	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N(C[3]C[3]2)(PN[6]2N)	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	107.1934	13.277	18	107.1934	13.277	18
992	856	941	0:SP3_SP2_SP3	P	N[6]	N	3:4:4:2:	4:4:4:	4:2:	N[6]-3:C-4:C-4:N-2:	C[6]-4:C[6]-4:P-4:	P-4:N-2:	P(N[6]C[6]2)(CC3)2(NN)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN)	N(PN[6]CC)(NN)	P(N[6]C[6]2)(CC3)2(NN)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN){1|C<3>,1|C<4>,2|H<1>}	N(PN[6]CC)(NN)	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	107.1934	13.277	18	107.1934	13.277	18
992	856	956	0:SP3_SP2_SP2	P	N[6]	N	3:3:2:1:	4:4:4:	3:4:1:	N[6]-3:N-3:O-2:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:H-1:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO)	N(C[6a]C[6a]2)(PN[6]OO)(H)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(PN[6]OO)(H)	108.3650	1.306	3	108.3650	1.706	3	108.3650	1.706	3	108.3650	1.706	3	107.8035	7.758	11	107.8035	7.758	11
992	856	956	0:SP3_SP2_SP2	P	N[6]	N	3:3:2:3:	4:4:4:	4:4:1:	N[6]-3:N[6]-3:N-2:N-3:	C[6]-4:C[6]-4:P-4:	P-4:C-4:H-1:	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN)	N(PN[6]2N)(CC3)(H)	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N(PN[6]2N)(CC3)(H)	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	107.0560	0.000	1	107.8035	7.758	11	107.8035	7.758	11
992	856	956	0:SP3_SP2_SP2	P	N[6]	N	3:3:3:1:	4:4:4:	3:4:1:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:H-1:	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N(C[6a]C[6a]2)(PN[6]2O)(H)	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(PN[6]2O)(H)	105.7295	0.839	4	105.7295	0.704	4	105.7295	0.704	4	105.7295	0.704	4	107.8035	7.758	11	107.8035	7.758	11
992	856	956	0:SP3_SP2_SP2	P	N[6]	N	3:3:3:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:C-3:H-1:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N(PN[6]2O)(CC[6a]O)(H)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N(PN[6]2O)(CC[6a]O)(H)	110.2563	4.201	3	110.2563	17.646	3	110.2563	17.646	3	110.2563	17.646	3	107.8035	7.758	11	107.8035	7.758	11
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:1:	4:4:4:	3:4:1:	N[6]-3:N-3:O-2:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:H-1:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO)	N(C[6a]C[6a]2)(PN[6]OO)(H)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	N(C[6a]C[6a]2)(PN[6]OO)(H)	107.9730	0.789	2	107.9730	0.623	2	107.9730	0.623	2	107.9730	0.623	2	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:1:	N[6]-3:N-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:C-4:H-1:	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3)	N(PN[6]NN)(CCHH)(H)	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3){1|O<2>,4|H<1>}	N(PN[6]NN)(CCHH)(H)	103.0910	0.000	1	103.0910	0.000	1	103.0910	0.000	1	103.0910	0.000	1	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:2:3:	4:4:4:	4:4:1:	N[6]-3:N[6]-3:N-2:N-3:	C[6]-4:C[6]-4:P-4:	P-4:C-4:H-1:	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN)	N(PN[6]2N)(CC3)(H)	P(N[6]C[6]2)2(NC[3])(NCH)	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	N(PN[6]2N)(CC3)(H)	101.6340	0.000	1	101.6340	0.000	1	101.6340	0.000	1	101.6340	0.000	1	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:3:1:	4:4:4:	3:4:1:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	C[6a]-3:P-4:H-1:	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N(C[6a]C[6a]2)(PN[6]2O)(H)	P(N[6]C[6]2)2(NC[6a]H)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N(C[6a]C[6a]2)(PN[6]2O)(H)	107.0120	0.888	6	107.0120	0.789	6	107.0120	0.789	6	107.0120	0.789	6	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:3:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:C-3:H-1:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N(PN[6]2O)(CCO)(H)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	N(PN[6]2O)(CCO)(H)	103.1208	5.254	2	103.1208	27.606	2	105.9151	18.088	5	105.9151	18.088	5	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:3:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:C-3:H-1:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N(PN[6]2O)(CC[6a]O)(H)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	N(PN[6]2O)(CC[6a]O)(H)	108.2620	4.161	2	107.7780	9.358	3	105.9151	18.088	5	105.9151	18.088	5	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP2_SP3	P	N[6]	N	3:3:3:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:N-3:O-1:	C[6]-4:C[6]-4:P-4:	P-4:C-3:H-1:	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO)	N(PN[6]2O)(CC[6a]O)(H)	P(N[6]C[6]2)2(NCH)(O)	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	N(PN[6]2O)(CC[6a]O)(H)	106.8100	0.000	1	107.7780	9.358	3	105.9151	18.088	5	105.9151	18.088	5	106.1546	8.432	15	106.1546	8.432	15
992	856	956	0:SP3_SP3_SP3	P	N[6]	N	3:3:2:2:	4:4:4:	4:4:1:	N[6]-3:N-3:N-2:N-2:	C[6]-4:C[6]-4:P-4:	P-4:C-4:H-1:	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3)	N(PN[6]NN)(CCHH)(H)	P(N[6]C[6]2)(NCH)(NP)2	N[6](C[6]C[6]HH)2(PN3){1|C<4>,4|H<1>}	N(PN[6]NN)(CCHH)(H)	104.1280	0.000	1	104.1280	0.000	1	104.1280	0.000	1	104.1280	0.000	1	106.0217	4.278	3	106.0217	4.278	3
992	856	956	0:SP3_SP3_SP3	P	N[6]	N	3:3:3:1:	4:4:4:	4:4:4:	N[6]-3:N-3:N-3:O-1:	C[6,6]-4:C[6]-4:P-4:	P-4:C-4:C-4:	P(N[6]C[6,6]C[6])(NCC)2(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO)	N(PN[6]NO)(CH3)2	P(N[6]C[6,6]C[6])(NCC)2(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO){2|C<4>,2|H<1>,3|C<3>}	N(PN[6]NO)(CH3)2	106.9685	1.783	2	106.9685	3.178	2	106.9685	3.178	2	106.9685	3.178	2	106.0217	4.278	3	106.0217	4.278	3
992	856	977	0:SP3_SP-NON_SP2	P	N[6]	S	3:2:1:1:	3:3:4:	4:	N[6]-3:S-2:S-1:S-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(N[6]C[6]2)(SP)(S)2	N[6](C[6]C[6]H)2(PS3)	S(PN[6]SS)	P(N[6]C[6]2)(SP)(S)2	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	S(PN[6]SS)	106.6024	0.655	7	106.6024	0.430	7	106.5164	0.309	10	106.5164	0.309	10	107.5783	2.248	18	107.5783	2.248	18
992	856	977	0:SP3_SP-NON_SP2	P	N[6]	S	3:2:1:1:	3:3:4:	4:	N[6]-3:S-2:S-1:S-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(N[6]C[6]2)(SS)(S)2	N[6](C[6]C[6]H)2(PS3)	S(PN[6]SS)	P(N[6]C[6]2)(SS)(S)2	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	S(PN[6]SS)	106.3157	0.132	3	106.3157	0.017	3	106.5164	0.309	10	106.5164	0.309	10	107.5783	2.248	18	107.5783	2.248	18
992	856	977	0:SP3_SP-NON_SP2	P	N[6]	S	3:3:1:1:	3:3:4:	4:	N[6]-3:N[6]-3:S-1:S-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]H)2(PN[6]SS)	S(PN[6]2S)	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	S(PN[6]2S)	108.2862	0.378	6	108.2862	0.143	6	108.2862	0.143	6	108.2862	0.143	6	107.5783	2.248	18	107.5783	2.248	18
992	856	977	0:SP3_SP-NON_SP2	P	N[6]	S	3:4:4:1:	3:3:4:	4:	N[6]-3:C-4:C-4:S-1:	C[6]-3:C[6]-3:P-4:	P-4:	P(N[6]C[6]2)(CH3)2(S)	N[6](C[6]C[6]H)2(PCCS)	S(PN[6]CC)	P(N[6]C[6]2)(CH3)2(S)	N[6](C[6]C[6]H)2(PCCS){1|C<3>,2|H<1>}	S(PN[6]CC)	110.7640	0.375	2	110.7640	0.140	2	110.7640	0.140	2	110.7640	0.140	2	107.5783	2.248	18	107.5783	2.248	18
992	856	977	0:SP3_SP-NON_SP3	P	N[6]	S	3:2:2:1:	4:4:4:	4:	N[6]-3:O-2:O-2:S-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)(OC)2(S)	N[6](C[6]C[6]HH)2(POOS)	S(PN[6]OO)	P(N[6]C[6]2)(OC)2(S)	N[6](C[6]C[6]HH)2(POOS){1|N<3>,4|H<1>}	S(PN[6]OO)	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	114.2660	0.000	1	110.4924	5.999	7	110.4924	5.999	7
992	856	977	0:SP3_SP-NON_SP3	P	N[6]	S	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[6]-3:S-1:S-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(S)2	N[6](C[6]C[6]HH)2(PC[6a]SS)	S(PC[6a]N[6]S)	P(C[6a]C[6a]2)(N[6]C[6]2)(S)2	N[6](C[6]C[6]HH)2(PC[6a]SS){1|O<2>,4|H<1>}	S(PC[6a]N[6]S)	110.1085	2.193	2	110.1085	4.808	2	110.1085	4.808	2	109.8635	3.877	6	110.4924	5.999	7	110.4924	5.999	7
992	856	977	0:SP3_SP-NON_SP3	P	N[6]	S	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:S-1:S-1:	C[6]-4:C[6]-4:P-4:	P-4:	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]HH)2(PN[6]SS)	S(PN[6]2S)	P(N[6]C[6]2)2(S)2	N[6](C[6]C[6]HH)2(PN[6]SS){1|O<2>,4|H<1>}	S(PN[6]2S)	109.7410	2.191	4	109.7410	4.798	4	109.7410	4.798	4	109.8635	3.877	6	110.4924	5.999	7	110.4924	5.999	7
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	Cl-1:Cl-1:O-1:O-1:	P-4:	P-4:	P(Cl)2(O)2	O(PCl2O)	O(PCl2O)	P(Cl)2(O)2	O(PCl2O)	O(PCl2O)	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	F-1:F-1:O-1:O-1:	P-4:	P-4:	P(F)2(O)2	O(PFFO)	O(PFFO)	P(F)2(O)2	O(PFFO)	O(PFFO)	122.3835	1.896	4	122.3835	3.593	4	122.3835	3.593	4	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	F-1:O-1:O-1:O-1:	P-4:	P-4:	P(F)(O)3	O(PFOO)	O(PFOO)	P(F)(O)3	O(PFOO)	O(PFOO)	114.0518	2.058	64	114.0518	4.234	64	114.0518	4.234	64	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	H-1:H-1:O-1:O-1:	P-4:	P-4:	P(H)2(O)2	O(PHHO)	O(PHHO)	P(H)2(O)2	O(PHHO)	O(PHHO)	116.7078	1.615	4	116.7078	2.608	4	116.7078	2.608	4	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	H-1:O-1:O-1:O-1:	P-4:	P-4:	P(H)(O)3	O(PHOO)	O(PHOO)	P(H)(O)3	O(PHOO)	O(PHOO)	112.2062	1.009	24	112.2062	1.017	24	112.2062	1.017	24	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	O-1:O-1:O-1:O-1:	P-4:	P-4:	P(O)4	O(PO3)	O(PO3)	P(O)4	O(PO3)	O(PO3)	109.4328	2.379	171	109.4328	5.659	171	109.4328	5.659	171	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	1:1:1:1:	4:	4:	O-1:O-1:O-1:S-1:	P-4:	P-4:	P(O)3(S)	O(POOS)	O(POOS)	P(O)3(S)	O(POOS)	O(POOS)	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	111.1238	11.426	269	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:F-1:O-1:O-1:	P-4:	P-4:	P(OH)(F)(O)2	O(PFOO)	O(PFOO)	P(OH)(F)(O)2	O(PFOO)	O(PFOO)	117.8980	1.445	3	117.8980	2.087	3	119.1512	4.074	5	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:F-1:O-1:O-1:	P-4:	P-4:	P(OP)(F)(O)2	O(PFOO)	O(PFOO)	P(OP)(F)(O)2	O(PFOO)	O(PFOO)	121.0310	0.585	2	121.0310	0.343	2	119.1512	4.074	5	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:H-1:O-1:O-1:	P-4:	P-4:	P(OC)(H)(O)2	O(PHOO)	O(PHOO)	P(OC)(H)(O)2	O(PHOO)	O(PHOO)	119.0120	0.000	1	119.0120	0.000	1	116.4920	1.611	31	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:H-1:O-1:O-1:	P-4:	P-4:	P(OC[6a])(H)(O)2	O(PHOO)	O(PHOO)	P(OC[6a])(H)(O)2	O(PHOO)	O(PHOO)	119.9400	0.000	1	119.9400	0.000	1	116.4920	1.611	31	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:H-1:O-1:O-1:	P-4:	P-4:	P(OH)(H)(O)2	O(PHOO)	O(PHOO)	P(OH)(H)(O)2	O(PHOO)	O(PHOO)	116.2862	1.015	29	116.2862	1.031	29	116.4920	1.611	31	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	P-4:	P-4:	P(OC)(O)3	O(PO3)	O(PO3)	P(OC)(O)3	O(PO3)	O(PO3)	112.9507	1.905	60	112.9507	3.629	60	112.0490	5.715	182	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	P-4:	P-4:	P(OC[6a])(O)3	O(PO3)	O(PO3)	P(OC[6a])(O)3	O(PO3)	O(PO3)	112.2300	3.366	15	112.2300	11.329	15	112.0490	5.715	182	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	P-4:	P-4:	P(OCu)(O)3	O(PO3)	O(PO3)	P(OCu)(O)3	O(PO3)	O(PO3)	109.4743	0.188	3	109.4743	0.035	3	112.0490	5.715	182	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	P-4:	P-4:	P(OGa)(O)3	O(PO3)	O(PO3)	P(OGa)(O)3	O(PO3)	O(PO3)	110.8133	2.876	3	110.8133	8.270	3	112.0490	5.715	182	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	P-4:	P-4:	P(OH)(O)3	O(PO3)	O(PO3)	P(OH)(O)3	O(PO3)	O(PO3)	111.3806	2.024	83	111.3806	4.097	83	112.0490	5.715	182	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	P-4:	P-4:	P(OP)(O)3	O(PO3)	O(PO3)	P(OP)(O)3	O(PO3)	O(PO3)	112.6092	3.366	18	112.6092	11.327	18	112.0490	5.715	182	112.8437	8.412	218	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC)(OH)(O)2	O(PO3)	O(PO3)	P(OC)(OH)(O)2	O(PO3)	O(PO3)	115.6483	2.198	24	115.6483	4.833	24	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC)(OP)(O)2	O(PO3)	O(PO3)	P(OC)(OP)(O)2	O(PO3)	O(PO3)	118.8049	1.783	9	118.8049	3.181	9	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC)2(O)2	O(PO3)	O(PO3)	P(OC)2(O)2	O(PO3)	O(PO3)	119.4030	1.881	6	119.4030	3.538	6	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC[5])(OC)(O)2	O(PO3)	O(PO3)	P(OC[5])(OC)(O)2	O(PO3)	O(PO3)	118.3042	0.990	5	118.3042	0.979	5	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC[6a])(OC)(O)2	O(PO3)	O(PO3)	P(OC[6a])(OC)(O)2	O(PO3)	O(PO3)	118.8030	0.000	1	118.8030	0.000	1	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC[6a])(OH)(O)2	O(PO3)	O(PO3)	P(OC[6a])(OH)(O)2	O(PO3)	O(PO3)	117.0061	1.768	18	117.0061	3.125	18	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC[6a])(ON)(O)2	O(PO3)	O(PO3)	P(OC[6a])(ON)(O)2	O(PO3)	O(PO3)	125.1080	0.000	1	125.1080	0.000	1	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC[6a])(ON[6])(O)2	O(PO3)	O(PO3)	P(OC[6a])(ON[6])(O)2	O(PO3)	O(PO3)	125.0430	0.000	1	125.0430	0.000	1	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OC[6a])2(O)2	O(PO3)	O(PO3)	P(OC[6a])2(O)2	O(PO3)	O(PO3)	119.6988	1.473	25	119.6988	2.168	25	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OCu)(OP)(O)2	O(PO3)	O(PO3)	P(OCu)(OP)(O)2	O(PO3)	O(PO3)	115.2295	0.192	2	115.2295	0.037	2	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OGa)2(O)2	O(PO3)	O(PO3)	P(OGa)2(O)2	O(PO3)	O(PO3)	114.5990	0.000	1	114.5990	0.000	1	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OH)(OP)(O)2	O(PO3)	O(PO3)	P(OH)(OP)(O)2	O(PO3)	O(PO3)	116.6063	2.003	33	116.6063	4.011	33	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OH)2(O)2	O(PO3)	O(PO3)	P(OH)2(O)2	O(PO3)	O(PO3)	114.3853	2.032	216	114.3853	4.129	216	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OMo)2(O)2	O(PO3)	O(PO3)	P(OMo)2(O)2	O(PO3)	O(PO3)	109.4728	3.659	6	109.4728	13.391	6	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(ONi)(OP)(O)2	O(PO3)	O(PO3)	P(ONi)(OP)(O)2	O(PO3)	O(PO3)	109.9730	0.000	1	109.9730	0.000	1	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	P-4:	P-4:	P(OP)2(O)2	O(PO3)	O(PO3)	P(OP)2(O)2	O(PO3)	O(PO3)	119.7765	1.206	59	119.7765	1.454	59	116.0642	9.444	408	116.0642	9.444	408	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:4:1:1:	4:	4:	O-2:C-4:O-1:O-1:	P-4:	P-4:	P(OC[6a])(CCCO)(O)2	O(PCOO)	O(PCOO)	P(OC[6a])(CCCO)(O)2	O(PCOO)	O(PCOO)	114.5390	0.000	1	114.5390	0.000	1	118.1890	26.645	2	118.1890	26.645	2	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	2:4:1:1:	4:	4:	O-2:C-4:O-1:O-1:	P-4:	P-4:	P(OC[6a])(CHHP)(O)2	O(PCOO)	O(PCOO)	P(OC[6a])(CHHP)(O)2	O(PCOO)	O(PCOO)	121.8390	0.000	1	121.8390	0.000	1	118.1890	26.645	2	118.1890	26.645	2	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:1:1:1:	4:	4:	C[6a]-3:H-1:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(H)(O)2	O(PC[6a]HO)	O(PC[6a]HO)	P(C[6a]C[6a]2)(H)(O)2	O(PC[6a]HO)	O(PC[6a]HO)	117.3460	0.000	1	117.3460	0.000	1	117.3460	0.000	1	111.0681	12.761	21	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:1:1:1:	4:	4:	C[6a]-3:O-1:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(O)3	O(PC[6a]OO)	O(PC[6a]OO)	P(C[6a]C[6a]2)(O)3	O(PC[6a]OO)	O(PC[6a]OO)	110.7542	3.355	20	110.7542	11.255	20	110.7542	11.255	20	111.0681	12.761	21	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C-3:O-2:O-1:O-1:	P-4:	P-4:	P(CCP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCP)(OH)(O)2	O(PCOO)	O(PCOO)	114.6890	0.000	1	114.6890	0.000	1	116.7576	4.195	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C-3:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6a]H)(OC)(O)2	O(PCOO)	O(PCOO)	P(CC[6a]H)(OC)(O)2	O(PCOO)	O(PCOO)	114.7680	0.000	1	114.7680	0.000	1	116.7576	4.195	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C-3:O-2:O-1:O-1:	P-4:	P-4:	P(CHN)(OH)(O)2	O(PCOO)	O(PCOO)	P(CHN)(OH)(O)2	O(PCOO)	O(PCOO)	117.8360	0.000	1	117.8360	0.000	1	116.7576	4.195	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C-3:O-2:O-1:O-1:	P-4:	P-4:	P(CNN)(OH)(O)2	O(PCOO)	O(PCOO)	P(CNN)(OH)(O)2	O(PCOO)	O(PCOO)	119.4600	0.000	1	119.4600	0.000	1	116.7576	4.195	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C-3:O-2:O-1:O-1:	P-4:	P-4:	P(COO)(OH)(O)2	O(PCOO)	O(PCOO)	P(COO)(OH)(O)2	O(PCOO)	O(PCOO)	117.0350	0.000	1	117.0350	0.000	1	116.7576	4.195	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[5]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]N[5])(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)	P(C[5]C[5]N[5])(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)	122.2105	0.333	2	122.2105	0.111	2	122.1427	0.069	3	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[5]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[5]N[5]2)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)	P(C[5]N[5]2)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)	122.0070	0.000	1	122.0070	0.000	1	122.1427	0.069	3	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6]C[6]2)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	P(C[6]C[6]2)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	116.4702	1.536	5	116.4702	2.360	5	117.1958	1.623	12	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6]C[6]N[6])(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	P(C[6]C[6]N[6])(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	117.7141	0.806	7	117.7141	0.650	7	117.1958	1.623	12	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a,6a]C[6a])(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)	P(C[6a]C[6a,6a]C[6a])(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)	115.2480	2.354	3	115.2480	5.540	3	115.3399	2.403	45	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(OC[6])(O)2	O(PC[6a]OO)	O(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6])(O)2	O(PC[6a]OO)	O(PC[6a]OO)	118.5830	0.000	1	118.5830	0.000	1	115.3399	2.403	45	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(OC[6a])(O)2	O(PC[6a]OO)	O(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6a])(O)2	O(PC[6a]OO)	O(PC[6a]OO)	119.3440	0.000	1	119.3440	0.000	1	115.3399	2.403	45	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)	P(C[6a]C[6a]2)(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)	115.0732	1.265	37	115.0732	1.600	37	115.3399	2.403	45	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(OP)(O)2	O(PC[6a]OO)	O(PC[6a]OO)	P(C[6a]C[6a]2)(OP)(O)2	O(PC[6a]OO)	O(PC[6a]OO)	116.3053	1.594	3	116.3053	2.540	3	115.3399	2.403	45	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	N-3:O-2:O-1:O-1:	P-4:	P-4:	P(NCH)(OC)(O)2	O(PNOO)	O(PNOO)	P(NCH)(OC)(O)2	O(PNOO)	O(PNOO)	119.6790	0.000	1	119.6790	0.000	1	118.8932	0.448	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	N-3:O-2:O-1:O-1:	P-4:	P-4:	P(NC[6a]H)(OC)(O)2	O(PNOO)	O(PNOO)	P(NC[6a]H)(OC)(O)2	O(PNOO)	O(PNOO)	118.6967	0.583	4	118.6967	0.340	4	118.8932	0.448	5	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	4:	O-3:O-2:O-1:O-1:	P-4:	P-4:	P(OMoH)(OMo)(O)2	O(PO3)	O(PO3)	P(OMoH)(OMo)(O)2	O(PO3)	O(PO3)	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	116.1919	5.624	71	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	C[6a]-3:C[5]-3:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	O(PC[6a]C[5]O)	O(PC[6a]C[5]O)	P(C[6a]C[6a]2)(C[5]N[5]2)(O)2	O(PC[6a]C[5]O)	O(PC[6a]C[5]O)	122.1500	0.371	2	122.1500	0.137	2	122.1500	0.137	2	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)2(O)2	O(PC[6a]2O)	O(PC[6a]2O)	P(C[6a]C[6a]2)2(O)2	O(PC[6a]2O)	O(PC[6a]2O)	117.8682	1.598	11	117.8682	2.552	11	117.8682	2.552	11	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	C[6a]-3:N-3:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(NCH)(O)2	O(PC[6a]NO)	O(PC[6a]NO)	P(C[6a]C[6a]2)(NCH)(O)2	O(PC[6a]NO)	O(PC[6a]NO)	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	C[6a]-3:N[6]-3:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(O)2	O(PC[6a]N[6]O)	O(PC[6a]N[6]O)	P(C[6a]C[6a]2)(N[6]C[6]2)(O)2	O(PC[6a]N[6]O)	O(PC[6a]N[6]O)	123.3135	1.910	2	123.3135	3.648	2	123.3135	3.648	2	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	N-3:N-3:O-1:O-1:	P-4:	P-4:	P(NCC)(NCH)(O)2	O(PNNO)	O(PNNO)	P(NCC)(NCH)(O)2	O(PNNO)	O(PNNO)	117.0000	0.000	1	117.0000	0.000	1	116.9770	2.411	3	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	N-3:N-3:O-1:O-1:	P-4:	P-4:	P(NHP)2(O)2	O(PNNO)	O(PNNO)	P(NHP)2(O)2	O(PNNO)	O(PNNO)	116.9655	2.196	2	116.9655	4.821	2	116.9770	2.411	3	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:O-1:O-1:	P-4:	P-4:	P(N[6]C[6]2)2(O)2	O(PN[6]2O)	O(PN[6]2O)	P(N[6]C[6]2)2(O)2	O(PN[6]2O)	O(PN[6]2O)	127.7900	1.487	3	127.7900	2.212	3	127.7900	2.212	3	120.0316	15.732	22	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:4:1:1:	4:	4:	C[5]-3:P-4:O-1:O-1:	P-4:	P-4:	P(C[5]N[5]2)(PC[5]OO)(O)2	O(PC[5]OP)	O(PC[5]OP)	P(C[5]N[5]2)(PC[5]OO)(O)2	O(PC[5]OP)	O(PC[5]OP)	123.7665	2.306	2	123.7665	5.317	2	123.7665	5.317	2	118.6048	10.313	13	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:4:1:1:	4:	4:	C[6a]-3:C-4:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)(O)2	O(PC[6a]CO)	O(PC[6a]CO)	P(C[6a]C[6a]2)(CCHH)(O)2	O(PC[6a]CO)	O(PC[6a]CO)	114.7595	1.186	2	114.7595	1.406	2	117.6663	5.546	11	118.6048	10.313	13	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	3:4:1:1:	4:	4:	C[6a]-3:C-4:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(CHHN)(O)2	O(PC[6a]CO)	O(PC[6a]CO)	P(C[6a]C[6a]2)(CHHN)(O)2	O(PC[6a]CO)	O(PC[6a]CO)	118.3122	2.043	9	118.3122	4.175	9	117.6663	5.546	11	118.6048	10.313	13	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CCHH)(H)(O)2	O(PCHO)	O(PCHO)	P(CCHH)(H)(O)2	O(PCHO)	O(PCHO)	116.7180	0.000	1	116.7180	0.000	1	118.8566	2.696	18	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CCHN)(H)(O)2	O(PCHO)	O(PCHO)	P(CCHN)(H)(O)2	O(PCHO)	O(PCHO)	117.5740	1.946	3	117.5740	3.785	3	118.8566	2.696	18	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CC[6a]HO)(H)(O)2	O(PCHO)	O(PCHO)	P(CC[6a]HO)(H)(O)2	O(PCHO)	O(PCHO)	115.9370	0.000	1	115.9370	0.000	1	118.8566	2.696	18	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CHHN)(H)(O)2	O(PCHO)	O(PCHO)	P(CHHN)(H)(O)2	O(PCHO)	O(PCHO)	119.5435	1.186	11	119.5435	1.406	11	118.8566	2.696	18	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CN[5]HH)(H)(O)2	O(PCHO)	O(PCHO)	P(CN[5]HH)(H)(O)2	O(PCHO)	O(PCHO)	119.3360	0.000	1	119.3360	0.000	1	118.8566	2.696	18	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CN[6]HH)(H)(O)2	O(PCHO)	O(PCHO)	P(CN[6]HH)(H)(O)2	O(PCHO)	O(PCHO)	119.7260	0.000	1	119.7260	0.000	1	118.8566	2.696	18	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	P-4:	P-4:	P(CCFF)(O)3	O(PCOO)	O(PCOO)	P(CCFF)(O)3	O(PCOO)	O(PCOO)	114.3313	0.602	3	114.3313	0.362	3	112.3431	1.699	72	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	P-4:	P-4:	P(CCHH)(O)3	O(PCOO)	O(PCOO)	P(CCHH)(O)3	O(PCOO)	O(PCOO)	111.6959	0.393	9	111.6959	0.154	9	112.3431	1.699	72	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	P-4:	P-4:	P(CCNP)(O)3	O(PCOO)	O(PCOO)	P(CCNP)(O)3	O(PCOO)	O(PCOO)	112.4420	1.170	18	112.4420	1.369	18	112.3431	1.699	72	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	P-4:	P-4:	P(CCOP)(O)3	O(PCOO)	O(PCOO)	P(CCOP)(O)3	O(PCOO)	O(PCOO)	112.1041	0.957	24	112.1041	0.915	24	112.3431	1.699	72	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	P-4:	P-4:	P(CHHN)(O)3	O(PCOO)	O(PCOO)	P(CHHN)(O)3	O(PCOO)	O(PCOO)	112.6481	1.948	15	112.6481	3.793	15	112.3431	1.699	72	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C-4:O-1:O-1:O-1:	P-4:	P-4:	P(CHNP)(O)3	O(PCOO)	O(PCOO)	P(CHNP)(O)3	O(PCOO)	O(PCOO)	112.0900	1.105	3	112.0900	1.221	3	112.3431	1.699	72	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C[5]-4:H-1:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]2Fe)(H)(O)2	O(PC[5]HO)	O(PC[5]HO)	P(C[5]C[5]2Fe)(H)(O)2	O(PC[5]HO)	O(PC[5]HO)	118.2460	0.000	1	118.2460	0.000	1	118.2460	0.000	1	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:1:1:1:	4:	4:	C[5]-4:O-1:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]O[5]C)(O)3	O(PC[5]OO)	O(PC[5]OO)	P(C[5]C[5]O[5]C)(O)3	O(PC[5]OO)	O(PC[5]OO)	111.5633	3.703	3	111.5633	13.711	3	111.5633	13.711	3	113.6283	9.021	94	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC3)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC3)(OH)(O)2	O(PCOO)	O(PCOO)	114.2149	1.920	17	114.2149	3.686	17	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC3)(OSb)(O)2	O(PCOO)	O(PCOO)	P(CC3)(OSb)(O)2	O(PCOO)	O(PCOO)	111.1270	1.327	4	111.1270	1.761	4	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCCH)(OC)(O)2	O(PCOO)	O(PCOO)	P(CCCH)(OC)(O)2	O(PCOO)	O(PCOO)	116.3740	0.000	1	116.3740	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCCH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCCH)(OH)(O)2	O(PCOO)	O(PCOO)	114.2890	0.000	1	114.2890	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCCN)(OC)(O)2	O(PCOO)	O(PCOO)	P(CCCN)(OC)(O)2	O(PCOO)	O(PCOO)	119.9320	0.000	1	119.9320	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCFF)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCFF)(OH)(O)2	O(PCOO)	O(PCOO)	118.2810	0.000	1	118.2810	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCHH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCHH)(OH)(O)2	O(PCOO)	O(PCOO)	114.5290	1.166	41	114.5290	1.359	41	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCHN)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCHN)(OH)(O)2	O(PCOO)	O(PCOO)	115.4487	0.756	4	115.4487	0.572	4	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCHO)(OC)(O)2	O(PCOO)	O(PCOO)	P(CCHO)(OC)(O)2	O(PCOO)	O(PCOO)	118.8470	0.000	1	118.8470	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCHP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCHP)(OH)(O)2	O(PCOO)	O(PCOO)	116.0000	1.228	2	116.0000	1.507	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCNP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCNP)(OH)(O)2	O(PCOO)	O(PCOO)	116.2901	1.935	42	116.2901	3.744	42	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCNP)(ONi)(O)2	O(PCOO)	O(PCOO)	P(CCNP)(ONi)(O)2	O(PCOO)	O(PCOO)	112.2940	0.713	5	112.2940	0.508	5	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCNP)(OZn)(O)2	O(PCOO)	O(PCOO)	P(CCNP)(OZn)(O)2	O(PCOO)	O(PCOO)	113.6150	0.868	2	113.6150	0.754	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCOP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CCOP)(OH)(O)2	O(PCOO)	O(PCOO)	115.2498	1.209	30	115.2498	1.461	30	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCOP)(ONi)(O)2	O(PCOO)	O(PCOO)	P(CCOP)(ONi)(O)2	O(PCOO)	O(PCOO)	110.8390	0.000	1	110.8390	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[3]NP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[3]NP)(OH)(O)2	O(PCOO)	O(PCOO)	115.1875	0.015	2	115.1875	0.000	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[4]OP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[4]OP)(OH)(O)2	O(PCOO)	O(PCOO)	115.2830	0.000	1	115.2830	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[5]OP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[5]OP)(OH)(O)2	O(PCOO)	O(PCOO)	116.1440	0.000	1	116.1440	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6]CH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[6]CH)(OH)(O)2	O(PCOO)	O(PCOO)	115.1080	0.000	1	115.1080	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6]HH)(OC)(O)2	O(PCOO)	O(PCOO)	P(CC[6]HH)(OC)(O)2	O(PCOO)	O(PCOO)	118.8640	0.000	1	118.8640	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)	116.8330	0.000	1	116.8330	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6]HO)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[6]HO)(OH)(O)2	O(PCOO)	O(PCOO)	117.9830	0.000	1	117.9830	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6a]CH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[6a]CH)(OH)(O)2	O(PCOO)	O(PCOO)	115.8865	0.006	2	115.8865	0.000	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6a]HH)(OC)(O)2	O(PCOO)	O(PCOO)	P(CC[6a]HH)(OC)(O)2	O(PCOO)	O(PCOO)	114.8185	2.634	2	114.8185	6.938	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6a]HH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CC[6a]HH)(OH)(O)2	O(PCOO)	O(PCOO)	114.7752	1.283	25	114.7752	1.646	25	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CC[6a]HN)(OC)(O)2	O(PCOO)	O(PCOO)	P(CC[6a]HN)(OC)(O)2	O(PCOO)	O(PCOO)	118.6310	1.867	5	118.6310	3.486	5	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CCl2P)(OC)(O)2	O(PCOO)	O(PCOO)	P(CCl2P)(OC)(O)2	O(PCOO)	O(PCOO)	120.4445	0.733	2	120.4445	0.538	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CFFS)(OC)(O)2	O(PCOO)	O(PCOO)	P(CFFS)(OC)(O)2	O(PCOO)	O(PCOO)	121.3500	0.000	1	121.3500	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CH3)(OH)(O)2	O(PCOO)	O(PCOO)	P(CH3)(OH)(O)2	O(PCOO)	O(PCOO)	113.7060	0.000	1	113.7060	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CHHN)(OH)(O)2	O(PCOO)	O(PCOO)	P(CHHN)(OH)(O)2	O(PCOO)	O(PCOO)	116.5795	1.454	46	116.5795	2.113	46	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CHHN)(ONi)(O)2	O(PCOO)	O(PCOO)	P(CHHN)(ONi)(O)2	O(PCOO)	O(PCOO)	113.1367	0.485	3	113.1367	0.236	3	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CHHP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CHHP)(OH)(O)2	O(PCOO)	O(PCOO)	113.4020	0.692	2	113.4020	0.478	2	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CHNP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CHNP)(OH)(O)2	O(PCOO)	O(PCOO)	116.2061	1.064	16	116.2061	1.133	16	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CHPS)(OH)(O)2	O(PCOO)	O(PCOO)	P(CHPS)(OH)(O)2	O(PCOO)	O(PCOO)	116.3100	0.000	1	116.3100	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CN[5]HP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CN[5]HP)(OH)(O)2	O(PCOO)	O(PCOO)	116.2660	0.000	1	116.2660	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CN[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)	P(CN[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)	117.2475	1.071	4	117.2475	1.147	4	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C-4:O-2:O-1:O-1:	P-4:	P-4:	P(CN[6]HP)(OH)(O)2	O(PCOO)	O(PCOO)	P(CN[6]HP)(OH)(O)2	O(PCOO)	O(PCOO)	115.7250	0.000	1	115.7250	0.000	1	115.5331	3.900	273	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C[5]-4:O-2:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]2H)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)	P(C[5]C[5]2H)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)	119.1240	0.000	1	119.1240	0.000	1	114.9824	7.706	5	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C[5]-4:O-2:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]2N)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)	P(C[5]C[5]2N)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)	116.5930	0.000	1	116.5930	0.000	1	114.9824	7.706	5	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C[5]-4:O-2:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]N[5]P)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)	P(C[5]C[5]N[5]P)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)	113.0650	0.157	3	113.0650	0.025	3	114.9824	7.706	5	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C[6]-4:O-2:O-1:O-1:	P-4:	P-4:	P(C[6]C[6]2H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	P(C[6]C[6]2H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	115.3690	0.000	1	115.3690	0.000	1	117.3291	1.247	7	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	C[6]-4:O-2:O-1:O-1:	P-4:	P-4:	P(C[6]C[6]N[6]H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	P(C[6]C[6]N[6]H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)	117.6558	0.775	6	117.6558	0.600	6	117.3291	1.247	7	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:2:1:1:	4:	4:	P-4:O-2:O-1:O-1:	P-4:	P-4:	P(PO3)(OH)(O)2	O(POOP)	O(POOP)	P(PO3)(OH)(O)2	O(POOP)	O(POOP)	116.3762	0.845	14	116.3762	0.715	14	116.3762	0.715	14	115.6054	3.829	299	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:3:1:1:	4:	4:	C-4:C-3:O-1:O-1:	P-4:	P-4:	P(CHHN)(CHN)(O)2	O(PCCO)	O(PCCO)	P(CHHN)(CHN)(O)2	O(PCCO)	O(PCCO)	118.1150	0.000	1	118.1150	0.000	1	118.1150	0.000	1	114.7037	8.872	3	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:3:1:1:	4:	4:	C-4:O-3:O-1:O-1:	P-4:	P-4:	P(CHHN)(OMn2)(O)2	O(PCOO)	O(PCOO)	P(CHHN)(OMn2)(O)2	O(PCOO)	O(PCOO)	113.3780	0.000	1	113.3780	0.000	1	112.9980	0.289	2	114.7037	8.872	3	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:3:1:1:	4:	4:	C-4:O-3:O-1:O-1:	P-4:	P-4:	P(CHHN)(ONi2)(O)2	O(PCOO)	O(PCOO)	P(CHHN)(ONi2)(O)2	O(PCOO)	O(PCOO)	112.6180	0.000	1	112.6180	0.000	1	112.9980	0.289	2	114.7037	8.872	3	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:4:1:1:	4:	4:	C-4:C-4:O-1:O-1:	P-4:	P-4:	P(CCCO)2(O)2	O(PCCO)	O(PCCO)	P(CCCO)2(O)2	O(PCCO)	O(PCCO)	116.9720	0.000	1	116.9720	0.000	1	118.3857	2.960	7	118.3857	2.960	7	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:4:1:1:	4:	4:	C-4:C-4:O-1:O-1:	P-4:	P-4:	P(CCFF)2(O)2	O(PCCO)	O(PCCO)	P(CCFF)2(O)2	O(PCCO)	O(PCCO)	119.7075	0.211	2	119.7075	0.045	2	118.3857	2.960	7	118.3857	2.960	7	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:4:1:1:	4:	4:	C-4:C-4:O-1:O-1:	P-4:	P-4:	P(CCOP)(CHHN)(O)2	O(PCCO)	O(PCCO)	P(CCOP)(CHHN)(O)2	O(PCCO)	O(PCCO)	116.6065	0.135	2	116.6065	0.018	2	118.3857	2.960	7	118.3857	2.960	7	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:4:1:1:	4:	4:	C-4:C-4:O-1:O-1:	P-4:	P-4:	P(CHHN)2(O)2	O(PCCO)	O(PCCO)	P(CHHN)2(O)2	O(PCCO)	O(PCCO)	118.2930	0.000	1	118.2930	0.000	1	118.3857	2.960	7	118.3857	2.960	7	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	4:4:1:1:	4:	4:	C-4:C-4:O-1:O-1:	P-4:	P-4:	P(CN[5]HH)(CHHN)(O)2	O(PCCO)	O(PCCO)	P(CN[5]HH)(CHHN)(O)2	O(PCCO)	O(PCCO)	120.8070	0.000	1	120.8070	0.000	1	118.3857	2.960	7	118.3857	2.960	7	114.4152	12.930	1428	114.4152	12.930	1428
992	863	863	0:SP3_SP2_SP2	P	O	O	5:2:1:1:	4:	4:	C-5:O-2:O-1:O-1:	P-4:	P-4:	P(CH3N)(OH)(O)2	O(PCOO)	O(PCOO)	P(CH3N)(OH)(O)2	O(PCOO)	O(PCOO)	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	114.4152	12.930	1428	114.4152	12.930	1428
992	863	893	0:SP3_SP2_SP2	P	O	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)	O(PCl2O)	O(C[6a]C[6a]2)(PCl2O)	P(OC[6a])(Cl)2(O)	O(PCl2O)	O(C[6a]C[6a]2)(PCl2O)	117.8872	0.599	5	117.8872	0.359	5	117.8872	0.359	5	109.0974	30.298	22	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	3:4:	O-2:H-1:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(H)(O)2	O(PHOO)	O(C[6a]C[6a]2)(PHOO)	P(OC[6a])(H)(O)2	O(PHOO)	O(C[6a]C[6a]2)(PHOO)	107.2150	4.684	2	107.2150	21.939	2	107.2150	21.939	2	109.0974	30.298	22	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	3:4:	O-2:O-1:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(O)3	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(O)3	O(PO3)	O(C[6a]C[6a]2)(PO3)	106.4185	2.826	15	106.4185	7.989	15	106.4185	7.989	15	109.0974	30.298	22	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:1:1:1:	4:	4:3:	O-2:O-1:O-1:O-1:	P-4:	P-4:C-3:	P(OC)(O)3	O(PO3)	O(PO3)(CCC)	P(OC)(O)3	O(PO3)	O(PO3)(CCC)	104.8725	4.709	3	104.8725	22.175	3	104.8725	22.175	3	104.8725	22.175	3	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	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)	O(PClOO)	O(C[6a]C[6a]2)(PClOO)	P(OC[6a])2(Cl)(O)	O(PClOO)	O(C[6a]C[6a]2)(PClOO)	115.0007	3.543	4	115.0007	12.553	4	115.0007	12.553	4	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	3:4:	O-2:O-2:H-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OH)(H)(O)	O(PHOO)	O(C[6a]C[6a]2)(PHOO)	P(OC[6a])(OH)(H)(O)	O(PHOO)	O(C[6a]C[6a]2)(PHOO)	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	3:4:	O-2:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC)(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OC)(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	109.4955	1.542	2	109.4955	2.378	2	108.0747	7.740	139	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	3:4:	O-2:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OH)(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OH)(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	107.1269	2.786	36	107.1269	7.764	36	108.0747	7.740	139	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	3:4:	O-2:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(ON)(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(ON)(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	108.4150	2.772	2	108.4150	7.683	2	108.0747	7.740	139	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	3:4:	O-2:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(ON[6])(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(ON[6])(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	108.2455	3.897	2	108.2455	15.186	2	108.0747	7.740	139	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	3:4:	O-2:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])2(O)2	O(PO3)	O(C[6a]C[6a]2)(PO3)	108.3866	2.748	97	108.3866	7.553	97	108.0747	7.740	139	108.3148	9.346	144	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:1:1:	4:	4:3:	O-2:O-2:O-1:O-1:	P-4:	P-4:C-3:	P(OC)(OH)(O)2	O(PO3)	O(PO3)(CCC)	P(OC)(OH)(O)2	O(PO3)	O(PO3)(CCC)	105.4500	3.387	2	105.4500	11.472	2	105.4500	11.472	2	105.4500	11.472	2	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	N-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a])(OC[6a])2(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(NC[6a])(OC[6a])2(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	112.8850	2.138	2	112.8850	4.572	2	112.8850	4.572	2	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NC)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NC)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	114.5190	3.672	4	114.5190	13.480	4	112.6601	10.583	20	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NC[5])(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NC[5])(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	111.6335	2.085	2	111.6335	4.348	2	112.6601	10.583	20	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NC[6])(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NC[6])(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	113.3615	7.755	2	113.3615	60.138	2	112.6601	10.583	20	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	112.0947	2.618	12	112.0947	6.854	12	112.6601	10.583	20	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C-3:P-4:	P(OC)3(O)	O(PO3)	O(CC[6a]C)(PO3)	P(OC)3(O)	O(PO3)	O(CC[6a]C)(PO3)	115.3690	0.580	2	115.3690	0.336	2	115.9982	0.428	5	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C-3:P-4:	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]C)(PO3)	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]C)(PO3)	116.4177	0.167	3	116.4177	0.028	3	115.9982	0.428	5	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[5a]-3:P-4:	P(OC[5a])(OC)2(O)	O(PO3)	O(C[5a]C[5a,6a]2)(PO3)	P(OC[5a])(OC)2(O)	O(PO3)	O(C[5a]C[5a,6a]2)(PO3)	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6]-3:P-4:	P(OC[6a])2(OC[6])(O)	O(PO3)	O(C[6]C[6]2)(PO3)	P(OC[6a])2(OC[6])(O)	O(PO3)	O(C[6]C[6]2)(PO3)	116.3327	0.849	3	116.3327	0.721	3	116.3327	0.721	3	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	112.3695	1.412	2	112.3695	1.994	2	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC)2(O)	O(PO3)	O(C[6a]C[6,6a]C[6a])(PO3)	P(OC[6a])(OC)2(O)	O(PO3)	O(C[6a]C[6,6a]C[6a])(PO3)	114.0640	0.000	1	114.0640	0.000	1	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OC)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	116.2978	0.649	4	116.2978	0.422	4	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC[5])2(O)	O(PO3)	O(C[6a]C[6a,6a]C[6a])(PO3)	P(OC[6a])(OC[5])2(O)	O(PO3)	O(C[6a]C[6a,6a]C[6a])(PO3)	118.2350	0.000	1	118.2350	0.000	1	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC[5])2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OC[5])2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	116.1330	0.000	1	116.1330	0.000	1	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OCo)(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OCo)(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	108.1930	0.000	1	108.1930	0.000	1	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OCo)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OCo)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	107.6723	1.595	3	107.6723	2.544	3	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OH)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OH)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	109.4009	2.884	13	109.4009	8.318	13	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OMg)(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OMg)(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	105.3120	1.747	2	105.3120	3.050	2	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OMg)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OMg)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	106.0753	1.297	3	106.0753	1.681	3	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OSn)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OSn)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	106.6180	0.000	1	106.6180	0.000	1	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OZn)(OC)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OZn)(OC)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	109.8375	1.347	2	109.8375	1.815	2	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OZn)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])(OZn)2(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	108.7130	1.075	2	108.7130	1.155	2	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(OC)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])2(OC)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	116.0627	2.267	12	116.0627	5.141	12	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(OC[6])(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])2(OC[6])(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	116.2783	2.797	6	116.2783	7.822	6	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(OCu)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])2(OCu)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	109.4729	3.307	8	109.4729	10.938	8	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(OH)(O)	O(PO3)	O(C[6a]C[5,6a]C[6a])(PO3)	P(OC[6a])2(OH)(O)	O(PO3)	O(C[6a]C[5,6a]C[6a])(PO3)	109.0635	3.533	4	109.0635	12.484	4	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])2(OH)(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	111.6366	3.252	34	111.6366	10.578	34	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])3(O)	O(PO3)	O(C[6a]C[6a,6a]C[6a])(PO3)	P(OC[6a])3(O)	O(PO3)	O(C[6a]C[6a,6a]C[6a])(PO3)	115.5055	3.326	4	115.5055	11.064	4	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:2:1:	4:	3:4:	O-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])3(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	P(OC[6a])3(O)	O(PO3)	O(C[6a]C[6a]2)(PO3)	115.9594	1.843	17	115.9594	3.398	17	112.3619	16.743	121	112.6268	15.451	152	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:C-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(CCC)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])2(CCC)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	114.1085	0.071	2	114.1085	0.005	2	114.4865	1.141	6	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:C-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(CPP)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])2(CPP)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	114.6755	1.326	4	114.6755	1.757	4	114.4865	1.141	6	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6]-3:P-4:	P(OC[6a])(OC[6])(NPdP)(O)	O(PNOO)	O(C[6]C[6]2)(PNOO)	P(OC[6a])(OC[6])(NPdP)(O)	O(PNOO)	O(C[6]C[6]2)(PNOO)	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC[5])(NCH)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])(OC[5])(NCH)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	115.9950	0.000	1	115.9950	0.000	1	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(OC[6])(NPdP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])(OC[6])(NPdP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	115.5950	0.000	1	115.5950	0.000	1	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NCC)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NCC)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	115.3735	1.172	4	115.3735	1.375	4	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NCH)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NCH)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	115.4430	2.134	50	115.4430	4.552	50	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NCN)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NCN)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	116.2325	0.892	2	116.2325	0.795	2	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NCP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NCP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	116.0105	3.497	2	116.0105	12.227	2	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NHN)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NHN)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	116.1035	2.628	2	116.1035	6.908	2	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NHP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NHP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	115.0909	0.756	8	115.0909	0.571	8	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:3:1:	4:	3:4:	O-2:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(NPdP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])2(NPdP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	114.8427	1.199	6	114.8427	1.439	6	115.4172	3.527	76	115.3376	3.365	83	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:4:1:	4:	3:4:	O-2:O-2:C-4:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(CCHN)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])2(CCHN)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	114.6106	0.769	8	114.6106	0.591	8	113.9327	0.681	41	113.9327	0.681	41	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:2:4:1:	4:	3:4:	O-2:O-2:C-4:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])2(CH3)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])2(CH3)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	113.7684	0.761	33	113.7684	0.579	33	113.9327	0.681	41	113.9327	0.681	41	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	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)	O(PClNO)	O(C[6a]C[6a]2)(PClNO)	P(OC[6a])(NCC)(Cl)(O)	O(PClNO)	O(C[6a]C[6a]2)(PClNO)	117.2360	0.000	1	117.2360	0.000	1	117.2360	0.000	1	117.2360	0.000	1	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:2:1:	4:	3:4:	O-2:N-3:C-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCC)(CN)(O)	O(PCNO)	O(C[6a]C[6a]2)(PCNO)	P(OC[6a])(NCC)(CN)(O)	O(PCNO)	O(C[6a]C[6a]2)(PCNO)	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	116.5490	2.900	4	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:2:1:	4:	3:4:	O-2:N-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCC)(OP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])(NCC)(OP)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	117.7040	0.000	1	117.7040	0.000	1	115.9780	2.394	3	116.5490	2.900	4	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:2:1:	4:	3:4:	O-2:N-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCH)(OC)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(OC[6a])(NCH)(OC)(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	115.1150	0.566	2	115.1150	0.320	2	115.9780	2.394	3	116.5490	2.900	4	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:3:1:	4:	3:4:	O-2:N-3:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCC)(NCH)(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(OC[6a])(NCC)(NCH)(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	114.0430	0.000	1	114.0430	0.000	1	112.3056	5.173	5	112.3056	5.173	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:3:1:	4:	3:4:	O-2:N-3:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCC)2(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(OC[6a])(NCC)2(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	110.5900	0.669	2	110.5900	0.447	2	112.3056	5.173	5	112.3056	5.173	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:3:1:	4:	3:4:	O-2:N-3:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NCH)2(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(OC[6a])(NCH)2(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	110.9270	0.000	1	110.9270	0.000	1	112.3056	5.173	5	112.3056	5.173	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:3:3:1:	4:	3:4:	O-2:N-3:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(NHN)2(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(OC[6a])(NHN)2(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	115.3780	0.000	1	115.3780	0.000	1	112.3056	5.173	5	112.3056	5.173	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:1:1:	4:	3:4:	O-2:C-4:H-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CC3)(H)(O)	O(PCHO)	O(C[6a]C[6a]2)(PCHO)	P(OC[6a])(CC3)(H)(O)	O(PCHO)	O(C[6a]C[6a]2)(PCHO)	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	110.0338	9.894	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:1:1:	4:	3:4:	O-2:C-4:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CCCO)(O)2	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])(CCCO)(O)2	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	110.1305	0.571	2	110.1305	0.326	2	109.1112	7.518	4	110.0338	9.894	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:1:1:	4:	3:4:	O-2:C-4:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CHHP)(O)2	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])(CHHP)(O)2	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	108.0920	4.251	2	108.0920	18.072	2	109.1112	7.518	4	110.0338	9.894	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:2:1:	4:	3:4:	O-2:C-4:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CCCO)(OCu)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])(CCCO)(OCu)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	111.6153	0.358	4	111.6153	0.128	4	112.1008	0.428	10	112.1008	0.428	10	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:2:1:	4:	3:4:	O-2:C-4:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CCCO)(OH)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])(CCCO)(OH)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	113.0360	0.803	2	113.0360	0.645	2	112.1008	0.428	10	112.1008	0.428	10	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:2:1:	4:	3:4:	O-2:C-4:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CCCO)(OZn)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(OC[6a])(CCCO)(OZn)(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	112.1188	0.206	4	112.1188	0.043	4	112.1008	0.428	10	112.1008	0.428	10	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	2:4:3:1:	4:	3:4:	O-2:C-4:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(OC[6a])(CHHO)(NCH)(O)	O(PCNO)	O(C[6a]C[6a]2)(PCNO)	P(OC[6a])(CHHO)(NCH)(O)	O(PCNO)	O(C[6a]C[6a]2)(PCNO)	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	3:4:	C[6a]-3:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(OC[6a])(O)2	O(PC[6a]OO)	O(C[6a]C[6a]2)(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6a])(O)2	O(PC[6a]OO)	O(C[6a]C[6a]2)(PC[6a]OO)	106.5070	6.910	2	106.5070	47.746	2	106.5070	47.746	2	104.1510	17.330	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:1:1:	4:	3:4:	C[6a]-3:O-2:O-1:S-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(OC[6a])(O)(S)	O(PC[6a]OS)	O(C[6a]C[6a]2)(PC[6a]OS)	P(C[6a]C[6a]2)(OC[6a])(O)(S)	O(PC[6a]OS)	O(C[6a]C[6a]2)(PC[6a]OS)	102.5803	1.240	3	102.5803	1.537	3	102.5803	1.537	3	104.1510	17.330	5	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	C-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(CC[6]2)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(CC[6]2)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	112.9085	4.629	2	112.9085	21.432	2	112.9085	21.432	2	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	C[5]-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	P(C[5]C[5,6a]C[4,5])(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	114.9355	0.039	2	114.9355	0.002	2	114.9355	0.002	2	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	O(PC[5a]OO)	O(C[6a]C[6a]2)(PC[5a]OO)	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	O(PC[5a]OO)	O(C[6a]C[6a]2)(PC[5a]OO)	113.6200	5.445	2	113.6200	29.645	2	113.6200	29.645	2	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	C-3:P-4:	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(CC[6a]C[4])(PC[6a]OO)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(CC[6a]C[4])(PC[6a]OO)	114.0813	0.557	3	114.0813	0.310	3	114.0813	0.310	3	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(OC[6a])(OH)(O)	O(PC[6a]OO)	O(C[6a]C[6a]2)(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6a])(OH)(O)	O(PC[6a]OO)	O(C[6a]C[6a]2)(PC[6a]OO)	112.1790	0.000	1	112.1790	0.000	1	113.7923	1.225	60	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(OC[6a])2(O)	O(PC[6a]OO)	O(C[6a]C[6a]2)(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6a])2(O)	O(PC[6a]OO)	O(C[6a]C[6a]2)(PC[6a]OO)	113.8197	1.096	59	113.8197	1.201	59	113.7923	1.225	60	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	N-3:O-2:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a]H)(OC[6a])(NC)(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(NC[6a]H)(OC[6a])(NC)(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	103.1710	0.000	1	103.1710	0.000	1	103.1710	0.000	1	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	N-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6]H)(OC[6a])2(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(NC[6]H)(OC[6a])2(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	114.4009	1.087	8	114.4009	1.182	8	114.6554	3.896	22	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	N-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a]H)(OC[6a])2(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	P(NC[6a]H)(OC[6a])2(O)	O(PNOO)	O(C[6a]C[6a]2)(PNOO)	114.8009	2.365	14	114.8009	5.595	14	114.6554	3.896	22	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	3:4:	N[6]-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(N[6]C[6]2)(OC[6a])2(O)	O(PN[6]OO)	O(C[6a]C[6a]2)(PN[6]OO)	P(N[6]C[6]2)(OC[6a])2(O)	O(PN[6]OO)	O(C[6a]C[6a]2)(PN[6]OO)	115.7092	0.626	4	115.7092	0.392	4	115.7092	0.392	4	113.9702	3.709	96	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	4:3:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-3:	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CC[4]H)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CC[4]H)	109.1235	0.125	2	109.1235	0.016	2	109.1235	0.016	2	110.6630	7.118	3	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:2:1:	4:	4:3:	N-3:O-2:O-2:O-1:	P-4:	P-4:C-3:	P(NC[6a]H)(OC)2(O)	O(PNOO)	O(PNOO)(CCH)	P(NC[6a]H)(OC)2(O)	O(PNOO)	O(PNOO)(CCH)	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	110.6630	7.118	3	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:3:1:	4:	3:4:	C[6a]-3:O-2:C-3:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	O(PC[6a]CO)	O(C[6a]C[6a]2)(PC[6a]CO)	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	O(PC[6a]CO)	O(C[6a]C[6a]2)(PC[6a]CO)	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	111.6705	0.212	2	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:2:3:1:	4:	3:4:	N-3:O-2:N-3:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6]H)(OC[6a])(NCH)(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(NC[6]H)(OC[6a])(NCH)(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.6705	0.212	2	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(OC[6a])(O)	O(PC[6a]2O)	O(C[6a]C[5a,6a]C[6a])(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[6a])(O)	O(PC[6a]2O)	O(C[6a]C[5a,6a]C[6a])(PC[6a]2O)	115.3640	0.000	1	115.3640	0.000	1	115.4064	0.658	13	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(OC[6a])(O)	O(PC[6a]2O)	O(C[6a]C[6,6a]C[6a])(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[6a])(O)	O(PC[6a]2O)	O(C[6a]C[6,6a]C[6a])(PC[6a]2O)	115.7820	0.000	1	115.7820	0.000	1	115.4064	0.658	13	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(OC[6a])(O)	O(PC[6a]2O)	O(C[6a]C[6a]2)(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[6a])(O)	O(PC[6a]2O)	O(C[6a]C[6a]2)(PC[6a]2O)	115.3761	0.880	11	115.3761	0.774	11	115.4064	0.658	13	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	Ge[6]-3:P-4:	P(C[6a]C[6a]2)2(OGe[6])(O)	O(PC[6a]2O)	O(Ge[6]N[6]2)(PC[6a]2O)	P(C[6a]C[6a]2)2(OGe[6])(O)	O(PC[6a]2O)	O(Ge[6]N[6]2)(PC[6a]2O)	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	N-3:N-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a]H)(NC[6]C)(OC[6a])(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(NC[6a]H)(NC[6]C)(OC[6a])(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	114.3020	0.000	1	114.3020	0.000	1	114.3915	1.139	4	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	N-3:N-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a]H)2(OC[6a])(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	P(NC[6a]H)2(OC[6a])(O)	O(PNNO)	O(C[6a]C[6a]2)(PNNO)	114.4213	1.305	3	114.4213	1.702	3	114.3915	1.139	4	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	3:4:	N[6]-3:N-3:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	O(PN[6]NO)	O(C[6a]C[6a]2)(PN[6]NO)	P(N[6]C[6]2)(NC[6a]H)(OC[6a])(O)	O(PN[6]NO)	O(C[6a]C[6a]2)(PN[6]NO)	114.0906	0.351	5	114.0906	0.123	5	114.0906	0.123	5	115.0577	1.302	23	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	3:3:2:1:	4:	4:2:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:N-2:	P(C[6a]C[6a]2)2(ON)(O)	O(PC[6a]2O)	O(PC[6a]2O)(NC)	P(C[6a]C[6a]2)2(ON)(O)	O(PC[6a]2O)	O(PC[6a]2O)(NC)	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C-4:O-2:O-2:O-1:	P-4:	C-3:P-4:	P(CCHH)(OC)2(O)	O(PCOO)	O(CC[5]C)(PCOO)	P(CCHH)(OC)2(O)	O(PCOO)	O(CC[5]C)(PCOO)	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(CC[5a]C[6a]H)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(CC[5a]C[6a]H)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	115.0495	0.763	2	115.0495	0.582	2	115.2930	0.895	10	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(CC[6a]CN)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(CC[6a]CN)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	116.3420	1.073	2	116.3420	1.152	2	115.2930	0.895	10	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(CC[6a]HN)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(CC[6a]HN)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	115.1735	1.275	2	115.1735	1.625	2	115.2930	0.895	10	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(CC[6a]HO)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	P(CC[6a]HO)(OC[6a])2(O)	O(PCOO)	O(C[6a]C[6a]2)(PCOO)	114.9500	0.791	4	114.9500	0.626	4	115.2930	0.895	10	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[5]C[5,6a]C[5,6]H)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	P(C[5]C[5,6a]C[5,6]H)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	113.8950	0.243	2	113.8950	0.059	2	114.5643	5.783	8	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[5]C[5,6a]C[5]N)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	P(C[5]C[5,6a]C[5]N)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	116.6900	0.631	2	116.6900	0.398	2	114.5643	5.783	8	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[5]C[5]2Fe)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	P(C[5]C[5]2Fe)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	112.7685	4.648	2	112.7685	21.602	2	114.5643	5.783	8	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[5]C[5]2H)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	P(C[5]C[5]2H)(OC[6a])2(O)	O(PC[5]OO)	O(C[6a]C[6a]2)(PC[5]OO)	114.9035	1.344	2	114.9035	1.807	2	114.5643	5.783	8	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	3:4:	C[6]-4:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6]C[6]2H)(OC[6a])2(O)	O(PC[6]OO)	O(C[6a]C[6a]2)(PC[6]OO)	P(C[6]C[6]2H)(OC[6a])2(O)	O(PC[6]OO)	O(C[6a]C[6a]2)(PC[6]OO)	114.1320	1.352	2	114.1320	1.828	2	114.1320	1.828	2	114.8664	2.707	21	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:2:2:1:	4:	4:3:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-3:	P(CC[6]HN)(OC)2(O)	O(PCOO)	O(PCOO)(CHH)	P(CC[6]HN)(OC)2(O)	O(PCOO)	O(PCOO)(CHH)	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP2	P	O	O	4:4:2:1:	4:	3:4:	C-4:C-4:O-2:O-1:	P-4:	C-3:P-4:	P(CC3)2(OC)(O)	O(PCCO)	O(CC[5a]O)(PCCO)	P(CC3)2(OC)(O)	O(PCCO)	O(CC[5a]O)(PCCO)	113.7610	1.044	2	113.7610	1.089	2	113.7610	1.089	2	113.7610	1.089	2	112.2133	16.052	627	112.2133	16.052	627
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:1:	O-2:F-1:O-1:O-1:	P-4:	P-4:H-1:	P(OH)(F)(O)2	O(PFOO)	O(PFOO)(H)	P(OH)(F)(O)2	O(PFOO)	O(PFOO)(H)	111.3243	2.267	6	111.3243	5.137	6	111.3243	5.137	6	108.4353	6.138	147	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:1:	O-2:H-1:O-1:O-1:	P-4:	P-4:H-1:	P(OH)(H)(O)2	O(PHOO)	O(PHOO)(H)	P(OH)(H)(O)2	O(PHOO)	O(PHOO)(H)	109.5480	2.298	58	109.5480	5.280	58	109.5480	5.280	58	108.4353	6.138	147	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:1:	O-2:O-1:O-1:O-1:	P-4:	P-4:H-1:	P(OH)(O)3	O(PO3)	O(PO3)(H)	P(OH)(O)3	O(PO3)	O(PO3)(H)	107.4489	2.115	83	107.4489	4.475	83	107.4489	4.475	83	108.4353	6.138	147	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:F-1:F-1:O-1:	P-4:	P-4:P-4:	P(OP)(F)2(O)	O(PFFO)	O(PFFO)2	P(OP)(F)2(O)	O(PFFO)	O(PFFO)2	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:F-1:O-1:O-1:	P-4:	P-4:P-4:	P(OP)(F)(O)2	O(PFOO)	O(PFOO)2	P(OP)(F)(O)2	O(PFOO)	O(PFOO)2	109.3285	2.679	4	109.3285	7.178	4	109.3285	7.178	4	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:F-1:O-1:S-1:	P-4:	C[6]-4:P-4:	P(OC[6])(F)(O)(S)	O(PFOS)	O(C[6]C[6]2H)(PFOS)	P(OC[6])(F)(O)(S)	O(PFOS)	O(C[6]C[6]2H)(PFOS)	111.3930	0.000	1	111.3930	0.000	1	111.3930	0.000	1	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:H-1:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(H)(O)2	O(PHOO)	O(CCHH)(PHOO)	P(OC)(H)(O)2	O(PHOO)	O(CCHH)(PHOO)	108.3475	4.352	2	108.3475	18.942	2	108.3475	18.942	2	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:O-1:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(O)3	O(PO3)	O(CCHH)(PO3)	P(OC)(O)3	O(PO3)	O(CCHH)(PO3)	105.7812	2.219	44	105.7812	4.925	44	105.7374	5.792	56	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:O-1:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(O)3	O(PO3)	O(CC[5]HH)(PO3)	P(OC)(O)3	O(PO3)	O(CC[5]HH)(PO3)	105.9891	2.178	9	105.9891	4.745	9	105.7374	5.792	56	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:O-1:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(O)3	O(PO3)	O(CH3)(PO3)	P(OC)(O)3	O(PO3)	O(CH3)(PO3)	104.3407	5.582	3	104.3407	31.160	3	105.7374	5.792	56	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:O-1:O-1:O-1:	P-4:	Ga-4:P-4:	P(OGa)(O)3	O(PO3)	O(GaO3)(PO3)	P(OGa)(O)3	O(PO3)	O(GaO3)(PO3)	107.9477	4.034	3	107.9477	16.272	3	107.9477	16.272	3	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:1:1:1:	4:	4:4:	O-2:O-1:O-1:O-1:	P-4:	P-4:P-4:	P(OP)(O)3	O(PO3)	O(PO3)2	P(OP)(O)3	O(PO3)	O(PO3)2	106.0042	2.233	18	106.0042	4.986	18	106.0042	4.986	18	106.3269	8.814	85	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:H-1:O-1:	P-4:	P-4:H-1:	P(OC[6a])(OH)(H)(O)	O(PHOO)	O(PHOO)(H)	P(OC[6a])(OH)(H)(O)	O(PHOO)	O(PHOO)(H)	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	109.2023	5.580	1006	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(OC)(OH)(O)2	O(PO3)	O(PO3)(H)	P(OC)(OH)(O)2	O(PO3)	O(PO3)(H)	110.7518	2.003	48	110.7518	4.012	48	109.2105	5.537	1001	109.2023	5.580	1006	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(OC[6a])(OH)(O)2	O(PO3)	O(PO3)(H)	P(OC[6a])(OH)(O)2	O(PO3)	O(PO3)(H)	110.5296	1.996	36	110.5296	3.984	36	109.2105	5.537	1001	109.2023	5.580	1006	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(OH)(OP)(O)2	O(PO3)	O(PO3)(H)	P(OH)(OP)(O)2	O(PO3)	O(PO3)(H)	110.5211	2.325	66	110.5211	5.408	66	109.2105	5.537	1001	109.2023	5.580	1006	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(OH)2(O)2	O(PO3)	O(PO3)(H)	P(OH)2(O)2	O(PO3)	O(PO3)(H)	108.9662	2.305	851	108.9662	5.313	851	109.2105	5.537	1001	109.2023	5.580	1006	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:1:	O-2:O-2:O-1:S-1:	P-4:	P-4:H-1:	P(OH)2(O)(S)	O(POOS)	O(POOS)(H)	P(OH)2(O)(S)	O(POOS)	O(POOS)(H)	106.1105	2.333	4	106.1105	5.442	4	106.1105	5.442	4	109.2023	5.580	1006	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:2:	O-2:O-2:O-1:O-1:	P-4:	P-4:H-2:	P(OH)2(O)2	O(PO3)	O(PO3)(HO)	P(OH)2(O)2	O(PO3)	O(PO3)(HO)	109.9800	5.112	2	109.9800	26.136	2	109.9800	26.136	2	109.9800	26.136	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(OH)(O)2	O(PO3)	O(CC3)(PO3)	P(OC)(OH)(O)2	O(PO3)	O(CC3)(PO3)	106.8450	5.879	2	106.8450	34.561	2	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(OH)(O)2	O(PO3)	O(CCCH)(PO3)	P(OC)(OH)(O)2	O(PO3)	O(CCCH)(PO3)	107.2551	2.859	8	107.2551	8.171	8	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(OH)(O)2	O(PO3)	O(CCHH)(PO3)	P(OC)(OH)(O)2	O(PO3)	O(CCHH)(PO3)	107.3497	2.308	32	107.3497	5.329	32	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(OH)(O)2	O(PO3)	O(CC[5]HH)(PO3)	P(OC)(OH)(O)2	O(PO3)	O(CC[5]HH)(PO3)	107.1428	3.494	4	107.1428	12.206	4	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(OP)(O)2	O(PO3)	O(CCHH)(PO3)	P(OC)(OP)(O)2	O(PO3)	O(CCHH)(PO3)	108.6617	2.706	8	108.6617	7.322	8	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)(OP)(O)2	O(PO3)	O(CC[5]HH)(PO3)	P(OC)(OP)(O)2	O(PO3)	O(CC[5]HH)(PO3)	109.3402	1.521	10	109.3402	2.314	10	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)2(O)2	O(PO3)	O(CC3)(PO3)	P(OC)2(O)2	O(PO3)	O(CC3)(PO3)	108.0040	3.862	4	108.0040	14.913	4	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)2(O)2	O(PO3)	O(CCHH)(PO3)	P(OC)2(O)2	O(PO3)	O(CCHH)(PO3)	107.7772	3.041	8	107.7772	9.247	8	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC)2(O)2	O(PO3)	O(CH3)(PO3)	P(OC)2(O)2	O(PO3)	O(CH3)(PO3)	108.5782	2.764	12	108.5782	7.638	12	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC[5])(OC)(O)2	O(PO3)	O(CCCH)(PO3)	P(OC[5])(OC)(O)2	O(PO3)	O(CCCH)(PO3)	108.9423	3.314	8	108.9423	10.984	8	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC[5])(OC)(O)2	O(PO3)	O(CC[5]HH)(PO3)	P(OC[5])(OC)(O)2	O(PO3)	O(CC[5]HH)(PO3)	107.9550	4.254	2	107.9550	18.096	2	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OC)(O)2	O(PO3)	O(CH3)(PO3)	P(OC[6a])(OC)(O)2	O(PO3)	O(CH3)(PO3)	108.9995	6.629	2	108.9995	43.945	2	108.0081	7.643	100	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	C[5]-4:P-4:	P(OC[5])(OC)(O)2	O(PO3)	O(C[5]C[5]2H)(PO3)	P(OC[5])(OC)(O)2	O(PO3)	O(C[5]C[5]2H)(PO3)	109.4935	2.272	10	109.4935	5.162	10	109.4935	5.162	10	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	Ga-4:P-4:	P(OGa)2(O)2	O(PO3)	O(GaO3)(PO3)	P(OGa)2(O)2	O(PO3)	O(GaO3)(PO3)	108.7970	2.334	4	108.7970	5.448	4	108.7970	5.448	4	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	N-4:P-4:	P(OC[6a])(ON)(O)2	O(PO3)	O(NC3)(PO3)	P(OC[6a])(ON)(O)2	O(PO3)	O(NC3)(PO3)	105.4360	5.596	2	105.4360	31.316	2	105.4360	31.316	2	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	N[6]-4:P-4:	P(OC[6a])(ON[6])(O)2	O(PO3)	O(N[6]C[6]2C)(PO3)	P(OC[6a])(ON[6])(O)2	O(PO3)	O(N[6]C[6]2C)(PO3)	105.1250	5.326	2	105.1250	28.366	2	105.1250	28.366	2	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(OC)(OP)(O)2	O(PO3)	O(PO3)2	P(OC)(OP)(O)2	O(PO3)	O(PO3)2	109.0528	1.768	18	109.0528	3.124	18	108.3465	5.443	326	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(OCu)(OP)(O)2	O(PO3)	O(PO3)2	P(OCu)(OP)(O)2	O(PO3)	O(PO3)2	105.7745	2.463	4	105.7745	6.069	4	108.3465	5.443	326	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(OH)(OP)(O)2	O(PO3)	O(PO3)2	P(OH)(OP)(O)2	O(PO3)	O(PO3)2	107.4682	2.594	66	107.4682	6.727	66	108.3465	5.443	326	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(ONi)(OP)(O)2	O(PO3)	O(PO3)2	P(ONi)(OP)(O)2	O(PO3)	O(PO3)2	105.7885	0.057	2	105.7885	0.003	2	108.3465	5.443	326	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(OP)2(O)2	O(PO3)	O(PNOO)(PO3)	P(OP)2(O)2	O(PO3)	O(PNOO)(PO3)	106.8462	2.101	4	106.8462	4.415	4	108.3465	5.443	326	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(OP)2(O)2	O(PO3)	O(PO3)2	P(OP)2(O)2	O(PO3)	O(PO3)2	108.6339	2.201	232	108.6339	4.846	232	108.3465	5.443	326	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:1:1:	4:	4:4:	O-2:S-2:O-1:S-1:	P-4:	C-4:P-4:	P(OC)(SC)(O)(S)	O(POSS)	O(CC[6a]HH)(POSS)	P(OC)(SC)(O)(S)	O(POSS)	O(CC[6a]HH)(POSS)	102.6710	0.000	1	102.6710	0.000	1	102.6710	0.000	1	108.2600	6.171	445	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC)(OH)2(O)	O(PO3)	O(PO3)(H)	P(OC)(OH)2(O)	O(PO3)	O(PO3)(H)	113.0327	3.762	4	113.0327	14.150	4	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC)2(OH)(O)	O(PO3)	O(PO3)(H)	P(OC)2(OH)(O)	O(PO3)	O(PO3)(H)	111.1520	0.000	1	111.1520	0.000	1	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC[5])(OC)(OH)(O)	O(PO3)	O(PO3)(H)	P(OC[5])(OC)(OH)(O)	O(PO3)	O(PO3)(H)	114.5560	0.000	1	114.5560	0.000	1	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(PO3)(H)	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(PO3)(H)	116.5455	0.128	2	116.5455	0.016	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC[6a])(OCo)(OH)(O)	O(PO3)	O(PO3)(H)	P(OC[6a])(OCo)(OH)(O)	O(PO3)	O(PO3)(H)	110.6600	0.000	1	110.6600	0.000	1	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC[6a])(OH)2(O)	O(PO3)	O(PO3)(H)	P(OC[6a])(OH)2(O)	O(PO3)	O(PO3)(H)	113.6452	1.845	26	113.6452	3.404	26	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC[6a])(OMg)(OH)(O)	O(PO3)	O(PO3)(H)	P(OC[6a])(OMg)(OH)(O)	O(PO3)	O(PO3)(H)	110.6860	0.369	2	110.6860	0.136	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OC[6a])2(OH)(O)	O(PO3)	O(PO3)(H)	P(OC[6a])2(OH)(O)	O(PO3)	O(PO3)(H)	116.9031	2.219	19	116.9031	4.925	19	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OCd)(OH)2(O)	O(PO3)	O(PO3)(H)	P(OCd)(OH)2(O)	O(PO3)	O(PO3)(H)	109.8455	1.059	2	109.8455	1.121	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OCo)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	P(OCo)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	108.4555	1.353	13	108.4555	1.830	13	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OCo)(OH)2(O)	O(PO3)	O(PO3)(H)	P(OCo)(OH)2(O)	O(PO3)	O(PO3)(H)	108.1045	0.200	2	108.1045	0.040	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OH)(OP)2(O)	O(PO3)	O(PO3)(H)	P(OH)(OP)2(O)	O(PO3)	O(PO3)(H)	117.1275	1.983	2	117.1275	3.934	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OH)2(OP)(O)	O(PO3)	O(PO3)(H)	P(OH)2(OP)(O)	O(PO3)	O(PO3)(H)	114.2895	3.026	2	114.2895	9.155	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OH)3(O)	O(PO3)	O(PO3)(H)	P(OH)3(O)	O(PO3)	O(PO3)(H)	112.0225	2.416	99	112.0225	5.838	99	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OMn)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	P(OMn)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	107.5880	0.748	3	107.5880	0.560	3	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OMn)2(OH)(O)	O(PO3)	O(PO3)(H)	P(OMn)2(OH)(O)	O(PO3)	O(PO3)(H)	104.7080	0.000	1	104.7080	0.000	1	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OMo)2(OH)(O)	O(PO3)	O(PO3)(H)	P(OMo)2(OH)(O)	O(PO3)	O(PO3)(H)	106.9746	2.741	8	106.9746	7.515	8	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(ONi)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	P(ONi)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	110.0967	2.053	6	110.0967	4.216	6	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(ONi)(OH)2(O)	O(PO3)	O(PO3)(H)	P(ONi)(OH)2(O)	O(PO3)	O(PO3)(H)	109.2062	1.073	4	109.2062	1.152	4	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OZn)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	P(OZn)(OH)(OP)(O)	O(PO3)	O(PO3)(H)	110.5125	0.815	2	110.5125	0.665	2	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:1:	O-2:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(OZn)2(OH)(O)	O(PO3)	O(PO3)(H)	P(OZn)2(OH)(O)	O(PO3)	O(PO3)(H)	106.8194	1.892	9	106.8194	3.581	9	111.8701	11.502	209	111.8701	11.502	209	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	C-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a])(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a])(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.0092	1.623	8	115.0092	2.635	8	115.0092	2.635	8	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	C-2:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.0230	2.137	2	114.0230	4.566	2	114.0230	4.566	2	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NC)(OC)2(O)	O(PNOO)	O(CC[5]HH)(PNOO)	P(NC)(OC)2(O)	O(PNOO)	O(CC[5]HH)(PNOO)	113.9410	0.000	1	113.9410	0.000	1	114.2515	2.485	4	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NC)(OC)2(O)	O(PNOO)	O(CC[6a]HH)(PNOO)	P(NC)(OC)2(O)	O(PNOO)	O(CC[6a]HH)(PNOO)	116.1930	0.000	1	116.1930	0.000	1	114.2515	2.485	4	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NP)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	P(NP)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	113.4360	1.503	2	113.4360	2.260	2	114.2515	2.485	4	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(NS)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	P(NS)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	110.3735	3.372	2	110.3735	11.372	2	110.3735	11.372	2	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)(OH)2(O)	O(PO3)	O(CCCH)(PO3)	P(OC)(OH)2(O)	O(PO3)	O(CCCH)(PO3)	110.7620	4.053	2	110.7620	16.428	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)2(OH)(O)	O(PO3)	O(CCCH)(PO3)	P(OC)2(OH)(O)	O(PO3)	O(CCCH)(PO3)	116.6100	0.000	1	116.6100	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)2(OH)(O)	O(PO3)	O(CC[6a]HH)(PO3)	P(OC)2(OH)(O)	O(PO3)	O(CC[6a]HH)(PO3)	113.3170	0.000	1	113.3170	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CCCH)(PO3)	P(OC)3(O)	O(PO3)	O(CCCH)(PO3)	116.2887	0.624	3	116.2887	0.390	3	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CCHH)(PO3)	P(OC)3(O)	O(PO3)	O(CCHH)(PO3)	114.0928	2.366	18	114.0928	5.599	18	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CC[6a]2H)(PO3)	P(OC)3(O)	O(PO3)	O(CC[6a]2H)(PO3)	116.3140	0.000	1	116.3140	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CC[6a]CC)(PO3)	P(OC)3(O)	O(PO3)	O(CC[6a]CC)(PO3)	116.0945	0.607	2	116.0945	0.369	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CC[6a]CH)(PO3)	P(OC)3(O)	O(PO3)	O(CC[6a]CH)(PO3)	115.6510	0.000	1	115.6510	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CC[6a]C[5]H)(PO3)	P(OC)3(O)	O(PO3)	O(CC[6a]C[5]H)(PO3)	113.7572	4.297	4	113.7572	18.466	4	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC)3(O)	O(PO3)	O(CH3)(PO3)	P(OC)3(O)	O(PO3)	O(CH3)(PO3)	115.2015	0.042	2	115.2015	0.002	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[5])(OC)(OH)(O)	O(PO3)	O(CCCH)(PO3)	P(OC[5])(OC)(OH)(O)	O(PO3)	O(CCCH)(PO3)	114.1550	0.000	1	114.1550	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[5a])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	P(OC[5a])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	116.3730	0.064	2	116.3730	0.004	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	113.7395	4.427	2	113.7395	19.600	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(CC[6a]CH)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(CC[6a]CH)(PO3)	113.5397	4.945	4	113.5397	24.453	4	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(CC[6a]HH)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(CC[6a]HH)(PO3)	115.5980	1.852	6	115.5980	3.431	6	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(CH3)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(CH3)(PO3)	114.4265	3.997	2	114.4265	15.978	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(CCCH)(PO3)	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(CCCH)(PO3)	111.5700	0.000	1	111.5700	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(CH3)(PO3)	P(OC[6a])(OC)(OH)(O)	O(PO3)	O(CH3)(PO3)	108.9740	0.000	1	108.9740	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	P(OC[6a])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	115.3290	3.373	2	115.3290	11.376	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OC)2(O)	O(PO3)	O(CC[6a]HH)(PO3)	P(OC[6a])(OC)2(O)	O(PO3)	O(CC[6a]HH)(PO3)	112.2557	1.042	4	112.2557	1.085	4	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OC)2(O)	O(PO3)	O(CH3)(PO3)	P(OC[6a])(OC)2(O)	O(PO3)	O(CH3)(PO3)	114.0660	2.673	4	114.0660	7.145	4	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(OZn)(OC)(O)	O(PO3)	O(CC[5]HH)(PO3)	P(OC[6a])(OZn)(OC)(O)	O(PO3)	O(CC[5]HH)(PO3)	107.7560	0.256	2	107.7560	0.066	2	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]2C)(PO3)	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]2C)(PO3)	116.0090	0.000	1	116.0090	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]CH)(PO3)	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]CH)(PO3)	114.1460	0.000	1	114.1460	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]HH)(PO3)	P(OC[6a])2(OC)(O)	O(PO3)	O(CC[6a]HH)(PO3)	112.3740	0.000	1	112.3740	0.000	1	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OCu)(OC)2(O)	O(PO3)	O(CC3)(PO3)	P(OCu)(OC)2(O)	O(PO3)	O(CC3)(PO3)	109.2943	3.048	26	109.2943	9.292	26	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(OGa[6])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	P(OGa[6])(OC)2(O)	O(PO3)	O(CCHH)(PO3)	112.4790	3.219	4	112.4790	10.360	4	112.7338	12.690	99	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5,6]-4:P-4:	P(OC[5,6])(OC[5])2(O)	O(PO3)	O(C[5,6]C[5,5,6]C[5,6]H)(PO3)	P(OC[5,6])(OC[5])2(O)	O(PO3)	O(C[5,6]C[5,5,6]C[5,6]H)(PO3)	115.6820	0.106	2	115.6820	0.011	2	115.6820	0.011	2	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(OC[5,6])(OC[5])2(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	P(OC[5,6])(OC[5])2(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	111.1405	0.280	4	111.1405	0.078	4	113.7955	6.697	19	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(OC[5])(OC)(OH)(O)	O(PO3)	O(C[5]C[5]2H)(PO3)	P(OC[5])(OC)(OH)(O)	O(PO3)	O(C[5]C[5]2H)(PO3)	113.3310	0.000	1	113.3310	0.000	1	113.7955	6.697	19	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(OC[5])(OC[6])2(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	P(OC[5])(OC[6])2(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	115.7255	0.764	2	115.7255	0.584	2	113.7955	6.697	19	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(OC[5])2(OC[6])(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	P(OC[5])2(OC[6])(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	116.3175	0.120	2	116.3175	0.014	2	113.7955	6.697	19	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(OC[5])3(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	P(OC[5])3(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	113.0785	2.820	6	113.0785	7.954	6	113.7955	6.697	19	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(OC[6a])(OC[5])2(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	P(OC[6a])(OC[5])2(O)	O(PO3)	O(C[5]C[5]2Fe)(PO3)	115.4163	2.434	4	115.4163	5.926	4	113.7955	6.697	19	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(OC[5])(OC[6])2(O)	O(PO3)	O(C[6]C[6]2H)(PO3)	P(OC[5])(OC[6])2(O)	O(PO3)	O(C[6]C[6]2H)(PO3)	115.8235	0.693	4	115.8235	0.480	4	115.2557	0.885	12	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(OC[5])2(OC[6])(O)	O(PO3)	O(C[6]C[6]2H)(PO3)	P(OC[5])2(OC[6])(O)	O(PO3)	O(C[6]C[6]2H)(PO3)	115.7050	0.000	1	115.7050	0.000	1	115.2557	0.885	12	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(C[6]C[5,6]2H)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(C[6]C[5,6]2H)(PO3)	115.7695	1.183	2	115.7695	1.399	2	115.2557	0.885	12	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(C[6]C[6]2Fe)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(C[6]C[6]2Fe)(PO3)	115.1385	0.281	2	115.1385	0.079	2	115.2557	0.885	12	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(OC[6])(OC)2(O)	O(PO3)	O(C[6]C[6]2H)(PO3)	P(OC[6])(OC)2(O)	O(PO3)	O(C[6]C[6]2H)(PO3)	114.0843	0.572	3	114.0843	0.328	3	115.2557	0.885	12	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	Ga[6]-4:P-4:	P(OGa[6])(OC)2(O)	O(PO3)	O(Ga[6]N[6]2H)(PO3)	P(OGa[6])(OC)2(O)	O(PO3)	O(Ga[6]N[6]2H)(PO3)	116.7750	2.537	2	116.7750	6.437	2	116.7750	6.437	2	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OCo)(OH)(OP)(O)	O(PO3)	O(PO3)2	P(OCo)(OH)(OP)(O)	O(PO3)	O(PO3)2	106.3122	2.361	13	106.3122	5.573	13	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OCo)(OP)2(O)	O(PO3)	O(PO3)2	P(OCo)(OP)2(O)	O(PO3)	O(PO3)2	108.6610	1.136	4	108.6610	1.291	4	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OCo)2(OP)(O)	O(PO3)	O(PO3)2	P(OCo)2(OP)(O)	O(PO3)	O(PO3)2	104.2680	0.625	2	104.2680	0.391	2	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OH)(OP)2(O)	O(PO3)	O(PO3)2	P(OH)(OP)2(O)	O(PO3)	O(PO3)2	111.6718	3.540	4	111.6718	12.531	4	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OH)2(OP)(O)	O(PO3)	O(PO3)2	P(OH)2(OP)(O)	O(PO3)	O(PO3)2	112.3980	0.000	1	112.3980	0.000	1	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OIr)(OP)2(O)	O(PO3)	O(PO3)2	P(OIr)(OP)2(O)	O(PO3)	O(PO3)2	110.0050	0.297	4	110.0050	0.088	4	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OMn)(OH)(OP)(O)	O(PO3)	O(PO3)2	P(OMn)(OH)(OP)(O)	O(PO3)	O(PO3)2	105.3870	3.183	3	105.3870	10.133	3	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OMn)2(OP)(O)	O(PO3)	O(PO3)2	P(OMn)2(OP)(O)	O(PO3)	O(PO3)2	104.6800	0.045	2	104.6800	0.002	2	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(ONi)(OH)(OP)(O)	O(PO3)	O(PO3)2	P(ONi)(OH)(OP)(O)	O(PO3)	O(PO3)2	105.8998	2.191	6	105.8998	4.798	6	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(ORu)(OP)2(O)	O(PO3)	O(PO3)2	P(ORu)(OP)2(O)	O(PO3)	O(PO3)2	109.1453	1.417	4	109.1453	2.007	4	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OSn)2(OP)(O)	O(PO3)	O(PO3)2	P(OSn)2(OP)(O)	O(PO3)	O(PO3)2	105.3730	0.000	1	105.3730	0.000	1	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	O-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(OZn)(OH)(OP)(O)	O(PO3)	O(PO3)2	P(OZn)(OH)(OP)(O)	O(PO3)	O(PO3)2	106.2130	1.988	2	106.2130	3.954	2	107.3835	8.650	46	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	S-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(SC[6])(OC)2(O)	O(POOS)	O(CCHH)(POOS)	P(SC[6])(OC)2(O)	O(POOS)	O(CCHH)(POOS)	114.6488	4.204	4	114.6488	17.675	4	114.1740	11.333	6	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	S-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(SPt)(OC)2(O)	O(POOS)	O(CCHH)(POOS)	P(SPt)(OC)2(O)	O(POOS)	O(CCHH)(POOS)	113.2245	0.968	2	113.2245	0.937	2	114.1740	11.333	6	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:2:1:	4:	4:4:	S-2:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(SPd)(OC)2(O)	O(POOS)	O(POOS)(CH3)	P(SPd)(OC)2(O)	O(POOS)	O(POOS)(CH3)	110.6642	2.881	4	110.6642	8.298	4	110.6642	8.298	4	111.9610	16.240	206	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:3:1:	4:	4:4:	O-2:O-2:N-3:O-1:	P-4:	C[5]-4:P-4:	P(OC[5])2(NCC)(O)	O(PNOO)	O(C[5]C[5]2Fe)(PNOO)	P(OC[5])2(NCC)(O)	O(PNOO)	O(C[5]C[5]2Fe)(PNOO)	115.2945	1.306	2	115.2945	1.706	2	115.1563	0.910	3	115.1563	0.910	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:2:3:1:	4:	4:4:	O-2:O-2:N-3:O-1:	P-4:	C[5]-4:P-4:	P(OC[6a])(OC[5])(NCH)(O)	O(PNOO)	O(C[5]C[5]2H)(PNOO)	P(OC[6a])(OC[5])(NCH)(O)	O(PNOO)	O(C[5]C[5]2H)(PNOO)	114.8800	0.000	1	114.8800	0.000	1	115.1563	0.910	3	115.1563	0.910	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:3:2:1:	4:	4:4:	O-2:N-3:O-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])(NCH)(OC)(O)	O(PNOO)	O(CC[5]HH)(PNOO)	P(OC[6a])(NCH)(OC)(O)	O(PNOO)	O(CC[5]HH)(PNOO)	115.6975	1.473	2	115.6975	2.169	2	115.6975	2.169	2	114.6767	4.211	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:3:2:1:	4:	4:4:	O-2:N-3:O-2:O-1:	P-4:	P-4:P-4:	P(OC[6a])(NCC)(OP)(O)	O(PNOO)	O(PNOO)2	P(OC[6a])(NCC)(OP)(O)	O(PNOO)	O(PNOO)2	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	114.6767	4.211	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:3:3:1:	4:	4:4:	O-2:N-3:N-3:O-1:	P-4:	C[6]-4:P-4:	P(OC[6])(NCC)2(O)	O(PNNO)	O(C[6]C[6]2Fe)(PNNO)	P(OC[6])(NCC)2(O)	O(PNNO)	O(C[6]C[6]2Fe)(PNNO)	113.3855	0.646	2	113.3855	0.417	2	113.3855	0.417	2	113.3855	0.417	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:4:2:1:	4:	4:1:	O-2:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(OC[6a])(CCCO)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(OC[6a])(CCCO)(OH)(O)	O(PCOO)	O(PCOO)(H)	113.7550	0.786	2	113.7550	0.618	2	112.0343	9.191	3	112.0343	9.191	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:4:2:1:	4:	4:1:	O-2:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(OIn[5])(CC3)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(OIn[5])(CC3)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.5930	0.000	1	108.5930	0.000	1	112.0343	9.191	3	112.0343	9.191	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:4:2:1:	4:	6:4:	O-2:C-4:O-2:O-1:	P-4:	In[5]-6:P-4:	P(OIn[5])(CC3)(OH)(O)	O(PCOO)	O(In[5]N[5,6a]N[5,6]ClOO)(PCOO)	P(OIn[5])(CC3)(OH)(O)	O(PCOO)	O(In[5]N[5,6a]N[5,6]ClOO)(PCOO)	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	115.7920	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	2:4:4:1:	4:	4:4:	O-2:C-4:C-4:O-1:	P-4:	C[3x6]-4:P-4:	P(OC[3x6])(CHHO)(CC3)(O)	O(PCCO)	O(C[3x6]C[6,6]3)(PCCO)	P(OC[3x6])(CHHO)(CC3)(O)	O(PCCO)	O(C[3x6]C[6,6]3)(PCCO)	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.0320	2.731	2	109.0320	7.458	2	109.5528	5.082	8	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CHN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CHN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.0130	2.827	2	110.0130	7.992	2	109.5528	5.082	8	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CNN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CNN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.4515	3.508	2	109.4515	12.306	2	109.5528	5.082	8	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(COO)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(COO)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.7145	2.604	2	109.7145	6.782	2	109.5528	5.082	8	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C[6]-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	110.0022	2.461	10	110.0022	6.056	10	110.3481	4.170	24	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C[6]-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	110.5951	1.740	14	110.5951	3.027	14	110.3481	4.170	24	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C[6a]-3:O-2:H-1:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OH)(H)(O)	O(PC[6a]HO)	O(PC[6a]HO)(H)	P(C[6a]C[6a]2)(OH)(H)(O)	O(PC[6a]HO)	O(PC[6a]HO)(H)	115.0025	1.148	2	115.0025	1.317	2	115.0025	1.317	2	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a,6a]C[6a])(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a,6a]C[6a])(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)(H)	109.2792	1.729	6	109.2792	2.988	6	109.2720	4.330	80	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:1:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OH)(O)2	O(PC[6a]OO)	O(PC[6a]OO)(H)	109.2714	2.117	74	109.2714	4.482	74	109.2720	4.330	80	109.6188	4.914	114	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C-3:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CC[6a]H)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]H)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	105.9665	1.705	2	105.9665	2.906	2	105.9665	2.906	2	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C[5]-3:O-2:O-1:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)(CCCH)	P(C[5]C[5]N[5])(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)(CCCH)	110.6042	0.838	4	110.6042	0.703	4	109.9695	3.027	6	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C[5]-3:O-2:O-1:O-1:	P-4:	P-4:C-4:	P(C[5]N[5]2)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]N[5]2)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)(CCHH)	108.7000	2.862	2	108.7000	8.193	2	109.9695	3.027	6	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C[6a]-3:O-2:N-1:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(N)(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	P(C[6a]C[6a]2)(OC[6])(N)(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	114.9520	0.000	1	114.9520	0.000	1	114.9520	0.000	1	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C[6a]-3:O-2:O-1:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(O)2	O(PC[6a]OO)	O(C[6]C[6]2H)(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6])(O)2	O(PC[6a]OO)	O(C[6]C[6]2H)(PC[6a]OO)	108.0985	1.694	2	108.0985	2.868	2	108.0985	2.868	2	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C[6a]-3:O-2:O-1:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)(OP)(O)2	O(PC[6a]OO)	O(PC[6a]OO)2	P(C[6a]C[6a]2)(OP)(O)2	O(PC[6a]OO)	O(PC[6a]OO)2	108.7980	3.516	6	108.7980	12.359	6	108.7980	12.359	6	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	C[6a]-3:O-2:O-1:S-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(OC)(O)(S)	O(PC[6a]OS)	O(PC[6a]OS)(CCHH)	P(C[6a]C[6a]2)(OC)(O)(S)	O(PC[6a]OS)	O(PC[6a]OS)(CCHH)	103.8204	1.498	28	103.8204	2.245	28	103.8204	2.245	28	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	N-3:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(NC[6a]H)(OC)(O)2	O(PNOO)	O(CCHH)(PNOO)	P(NC[6a]H)(OC)(O)2	O(PNOO)	O(CCHH)(PNOO)	107.0097	4.014	8	107.0097	16.114	8	107.0097	16.114	8	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:1:1:	4:	4:4:	N-3:O-2:O-1:O-1:	P-4:	P-4:C-4:	P(NCH)(OC)(O)2	O(PNOO)	O(PNOO)(CH3)	P(NCH)(OC)(O)2	O(PNOO)	O(PNOO)(CH3)	108.6510	4.513	2	108.6510	20.365	2	108.6510	20.365	2	106.1098	12.250	55	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CNO)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CNO)(OH)2(O)	O(PCOO)	O(PCOO)(H)	114.1120	6.251	2	114.1120	39.073	2	114.1120	39.073	2	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]2)(OH)2(O)	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]2)(OH)2(O)	O(PC[6]OO)	O(PC[6]OO)(H)	113.3172	2.466	24	113.3172	6.083	24	113.1404	6.611	25	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]N[6])(OCo)(OH)(O)	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]N[6])(OCo)(OH)(O)	O(PC[6]OO)	O(PC[6]OO)(H)	108.8970	0.000	1	108.8970	0.000	1	113.1404	6.611	25	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a,6a]C[6a])(OCu)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a,6a]C[6a])(OCu)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	108.4393	1.524	4	108.4393	2.322	4	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a,6a]C[6a])(OH)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a,6a]C[6a])(OH)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	112.5326	1.929	14	112.5326	3.719	14	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OC[6a])(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OC[6a])(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	112.6380	0.000	1	112.6380	0.000	1	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OCd)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OCd)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	110.6730	0.000	1	110.6730	0.000	1	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OCu)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OCu)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	110.9860	0.516	2	110.9860	0.266	2	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OH)(OP)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OH)(OP)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	115.7641	1.898	9	115.7641	3.603	9	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OH)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OH)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	112.3940	1.780	44	112.3940	3.169	44	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OMn)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OMn)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	110.5160	0.000	1	110.5160	0.000	1	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(ONi)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(ONi)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	110.2120	0.000	1	110.2120	0.000	1	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OPd)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OPd)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	112.3480	0.000	1	112.3480	0.000	1	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OSn)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OSn)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	110.5060	0.636	2	110.5060	0.405	2	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OZn)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OZn)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	108.5700	0.000	1	108.5700	0.000	1	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]N[6a])(OH)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]N[6a])(OH)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	113.7055	0.152	2	113.7055	0.023	2	112.4310	5.201	83	112.6228	5.857	110	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCC)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCC)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.2250	1.694	4	115.2250	2.869	4	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCH)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CCH)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	112.9270	4.070	2	112.9270	16.566	2	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.1103	1.369	4	115.1103	1.874	4	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.5160	2.164	4	114.5160	4.682	4	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[5a]2)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[5a]2)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	113.8601	1.712	10	113.8601	2.930	10	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[5a]H)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[5a]H)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.7855	1.320	2	115.7855	1.743	2	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6]N)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6]N)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	116.7210	2.052	2	116.7210	4.211	2	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CHH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	112.7040	6.457	2	112.7040	41.697	2	114.4760	5.210	30	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCC)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCC)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.7575	1.802	16	114.7575	3.247	16	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	113.7657	2.643	4	113.7657	6.985	4	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	116.1840	3.258	2	116.1840	10.617	2	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6]N)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6]N)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	116.6970	1.203	2	116.6970	1.448	2	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]C)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]C)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.7750	0.561	2	114.7750	0.315	2	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]N)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]N)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	113.0110	3.469	2	113.0110	12.034	2	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]O)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]O)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	116.8520	2.785	2	116.8520	7.754	2	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CPP)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CPP)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	110.1620	6.944	2	110.1620	48.216	2	114.5795	7.151	32	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]2)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]2)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	114.7497	2.572	4	114.7497	6.618	4	114.2125	8.426	18	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]2)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]C[5]2)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	114.7355	1.408	2	114.7355	1.982	2	114.2125	8.426	18	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCCH)	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCCH)	114.6215	2.478	2	114.6215	6.143	2	114.2125	8.426	18	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	115.7265	1.750	2	115.7265	3.063	2	114.2125	8.426	18	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	113.3324	3.768	8	113.3324	14.198	8	114.2125	8.426	18	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(C[5a]C[5a]N[5a])(OC[5])2(O)	O(PC[5a]OO)	O(C[5]C[5]2Fe)(PC[5a]OO)	P(C[5a]C[5a]N[5a])(OC[5])2(O)	O(PC[5a]OO)	O(C[5]C[5]2Fe)(PC[5a]OO)	115.6255	0.050	2	115.6255	0.003	2	115.6255	0.003	2	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5,5a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	P(C[5a]C[5,5a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	113.6810	3.524	2	113.6810	12.420	2	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CCHH)	114.6190	0.334	2	114.6190	0.111	2	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	116.2845	1.979	2	116.2845	3.917	2	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CCHH)	114.9127	3.374	6	114.9127	11.381	6	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]N[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	113.5697	3.389	8	113.5697	11.485	8	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5a]S[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CCHH)	P(C[5a]C[5a]S[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CCHH)	116.2855	1.767	2	116.2855	3.123	2	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[5a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5a]C[5a]S[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	P(C[5a]C[5a]S[5a])(OC)2(O)	O(PC[5a]OO)	O(PC[5a]OO)(CH3)	112.6190	5.136	2	112.6190	26.383	2	114.3755	9.218	24	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	110.8650	0.000	1	110.8650	0.000	1	114.8971	4.885	9	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[5a,6]C[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[5a,6]C[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	113.4810	0.362	2	113.4810	0.131	2	114.8971	4.885	9	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6,6a]C[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[6,6a]C[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	115.1480	0.314	2	115.1480	0.099	2	114.8971	4.885	9	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]2)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[6]2)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	116.9960	1.389	2	116.9960	1.929	2	114.8971	4.885	9	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]O[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[6]O[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	115.9795	2.317	2	115.9795	5.369	2	114.8971	4.885	9	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CCHH)	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CCHH)	115.3803	1.998	6	115.3803	3.991	6	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CCHH)	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CCHH)	113.2930	2.577	2	113.2930	6.639	2	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CH3)	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CH3)	113.8810	1.303	6	113.8810	1.699	6	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CCHH)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CCHH)	114.4821	2.535	34	114.4821	6.427	34	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CC[4]CH)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CC[4]CH)	115.4190	0.000	1	115.4190	0.000	1	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CC[4]HH)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CC[4]HH)	114.4480	0.141	2	114.4480	0.020	2	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CH3)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CH3)	114.6910	0.235	2	114.6910	0.055	2	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]N[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CH3)	P(C[6a]C[6a]N[6a])(OC)2(O)	O(PC[6a]OO)	O(PC[6a]OO)(CH3)	116.1245	0.733	2	116.1245	0.538	2	114.5544	4.884	55	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)(OH)(OP)(O)	O(PC[6a]OO)	O(PC[6a]OO)2	P(C[6a]C[6a]2)(OH)(OP)(O)	O(PC[6a]OO)	O(PC[6a]OO)2	111.5988	1.520	9	111.5988	2.311	9	112.7495	3.689	15	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)(OP)2(O)	O(PC[6a]OO)	O(PC[6a]OO)2	P(C[6a]C[6a]2)(OP)2(O)	O(PC[6a]OO)	O(PC[6a]OO)2	114.4755	0.820	6	114.4755	0.673	6	112.7495	3.689	15	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:S-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(SC)(O)	O(PC[6a]OS)	O(C[6]C[6]2H)(PC[6a]OS)	P(C[6a]C[6a]2)(OC[6])(SC)(O)	O(PC[6a]OS)	O(C[6]C[6]2H)(PC[6a]OS)	116.8580	0.000	1	116.8580	0.000	1	117.0820	0.100	2	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:S-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(SS)(O)	O(PC[6a]OS)	O(C[6]C[6]2H)(PC[6a]OS)	P(C[6a]C[6a]2)(OC[6])(SS)(O)	O(PC[6a]OS)	O(C[6]C[6]2H)(PC[6a]OS)	117.3060	0.000	1	117.3060	0.000	1	117.0820	0.100	2	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NCH)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	P(NCH)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	116.0600	0.199	2	116.0600	0.040	2	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NCH)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	P(NCH)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	112.5945	3.464	8	112.5945	11.999	8	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NC[6a]C)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	P(NC[6a]C)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	115.6165	0.697	6	115.6165	0.486	6	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NC[6a]H)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	P(NC[6a]H)(OC)2(O)	O(PNOO)	O(CCHH)(PNOO)	116.0487	0.790	3	116.0487	0.624	3	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NC[6a]N)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	P(NC[6a]N)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	113.1110	4.040	2	113.1110	16.325	2	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NNiC)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	P(NNiC)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	114.7697	1.271	6	114.7697	1.615	6	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NPdC)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	P(NPdC)(OC)2(O)	O(PNOO)	O(CCCH)(PNOO)	115.3678	1.658	4	115.3678	2.751	4	114.5494	5.873	31	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(NCH)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	P(NCH)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	114.0643	3.532	4	114.0643	12.479	4	114.9773	6.245	12	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(NC[6a]H)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	P(NC[6a]H)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	116.6190	0.588	4	116.6190	0.346	4	114.9773	6.245	12	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(NHN)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	P(NHN)(OC)2(O)	O(PNOO)	O(PNOO)(CH3)	114.2488	2.159	4	114.2488	4.661	4	114.9773	6.245	12	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N-3:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(NCH)(OP)2(O)	O(PNOO)	O(PNOO)(PO3)	P(NCH)(OP)2(O)	O(PNOO)	O(PNOO)(PO3)	112.7640	2.111	2	112.7640	4.458	2	112.7640	4.458	2	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N[5a]-3:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(N[5a]C[5a,6a]C[5a])(OC[5])2(O)	O(PN[5a]OO)	O(C[5]C[5]2Fe)(PN[5a]OO)	P(N[5a]C[5a,6a]C[5a])(OC[5])2(O)	O(PN[5a]OO)	O(C[5]C[5]2Fe)(PN[5a]OO)	117.0845	0.978	2	117.0845	0.956	2	117.0845	0.956	2	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	N[6]-3:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(N[6]C[6,6a]C[6])(OC)2(O)	O(PN[6]OO)	O(PN[6]OO)(CCHH)	P(N[6]C[6,6a]C[6])(OC)2(O)	O(PN[6]OO)	O(PN[6]OO)(CCHH)	114.6947	1.092	4	114.6947	1.193	4	114.6947	1.193	4	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	P-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(PC[6a]H)(OC)2(O)	O(POOP)	O(CCHH)(POOP)	P(PC[6a]H)(OC)2(O)	O(POOP)	O(CCHH)(POOP)	114.7955	2.357	2	114.7955	5.554	2	115.5653	1.960	6	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	4:4:	P-3:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(PC[6a]W)(OC)2(O)	O(POOP)	O(CCHH)(POOP)	P(PC[6a]W)(OC)2(O)	O(POOP)	O(CCHH)(POOP)	115.9502	0.907	4	115.9502	0.822	4	115.5653	1.960	6	114.4898	5.930	244	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:2:1:	4:	5:4:	C[6]-3:O-2:O-2:O-1:	P-4:	Ga[4x6]-5:P-4:	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	O(PC[6]OO)	O(Ga[4x6]N[5a,6,6]4)(PC[6]OO)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	O(PC[6]OO)	O(Ga[4x6]N[5a,6,6]4)(PC[6]OO)	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:3:1:	4:	4:4:	C[6a]-3:O-2:N-3:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	116.2400	0.000	1	116.2400	0.000	1	116.2400	0.000	1	116.2400	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:4:1:	4:	4:4:	C[6a]-3:O-2:C-4:O-1:	P-4:	C[3x6]-4:P-4:	P(C[6a]C[6a]2)(OC[3x6])(CHHO)(O)	O(PC[6a]CO)	O(C[3x6]C[6,6]3)(PC[6a]CO)	P(C[6a]C[6a]2)(OC[3x6])(CHHO)(O)	O(PC[6a]CO)	O(C[3x6]C[6,6]3)(PC[6a]CO)	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	114.8565	1.365	6	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:4:1:	4:	4:4:	C[6a]-3:O-2:C-4:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	115.0320	0.000	1	115.0320	0.000	1	114.4090	0.205	5	114.8565	1.365	6	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:4:1:	4:	4:4:	C[6a]-3:O-2:C-4:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	114.2965	0.163	2	114.2965	0.027	2	114.4090	0.205	5	114.8565	1.365	6	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:4:1:	4:	4:4:	C[6a]-3:O-2:C-4:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	114.5970	0.000	1	114.5970	0.000	1	114.4090	0.205	5	114.8565	1.365	6	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:2:4:1:	4:	4:4:	C[6a]-3:O-2:C-4:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(OC[6])(CH3)(O)	O(PC[6a]CO)	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	P(C[6a]C[6a]2)(OC[6])(CH3)(O)	O(PC[6a]CO)	O(C[6]C[6,6]C[6]H)(PC[6a]CO)	113.8230	0.000	1	113.8230	0.000	1	114.4090	0.205	5	114.8565	1.365	6	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	N[5,6]-3:P-4:	P(C[6a]C[6a]2)2(ON[5,6])(O)	O(PC[6a]2O)	O(N[5,6]C[5,5,6]C[5,6])(PC[6a]2O)	P(C[6a]C[6a]2)2(ON[5,6])(O)	O(PC[6a]2O)	O(N[5,6]C[5,5,6]C[5,6])(PC[6a]2O)	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:1:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)2(OH)(O)	O(PC[6a]2O)	O(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(OH)(O)	O(PC[6a]2O)	O(PC[6a]2O)(H)	115.7440	0.600	2	115.7440	0.360	2	115.7440	0.360	2	113.2425	10.283	4	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:1:	C[6a]-3:O-3:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(OCd2)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	P(C[6a]C[6a]2)(OCd2)(OH)(O)	O(PC[6a]OO)	O(PC[6a]OO)(H)	109.0890	0.000	1	109.0890	0.000	1	109.0890	0.000	1	113.2425	10.283	4	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:1:	C[6a]-3:Se-3:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(SeCu2)(OH)(O)	O(PC[6a]SeO)	O(PC[6a]SeO)(H)	P(C[6a]C[6a]2)(SeCu2)(OH)(O)	O(PC[6a]SeO)	O(PC[6a]SeO)(H)	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	113.2425	10.283	4	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:N-3:	P(C[6a]C[6a]2)2(ON)(O)	O(PC[6a]2O)	O(PC[6a]2O)(NCC)	P(C[6a]C[6a]2)2(ON)(O)	O(PC[6a]2O)	O(PC[6a]2O)(NCC)	114.1610	0.000	1	114.1610	0.000	1	115.0157	0.333	4	115.0157	0.333	4	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:3:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:N-3:	P(C[6a]C[6a]2)2(ON)(O)	O(PC[6a]2O)	O(PC[6a]2O)(NCH)	P(C[6a]C[6a]2)2(ON)(O)	O(PC[6a]2O)	O(PC[6a]2O)(NCH)	115.3007	0.109	3	115.3007	0.012	3	115.0157	0.333	4	115.0157	0.333	4	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C-3:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	115.5975	0.080	2	115.5975	0.006	2	115.5975	0.006	2	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C-3:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	114.7870	0.000	1	114.7870	0.000	1	114.7870	0.000	1	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	B-4:P-4:	P(C[6a]C[6a]2)2(OB)(O)	O(PC[6a]2O)	O(BC[6a]N[6]H)(PC[6a]2O)	P(C[6a]C[6a]2)2(OB)(O)	O(PC[6a]2O)	O(BC[6a]N[6]H)(PC[6a]2O)	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)2(OC[6])(O)	O(PC[6a]2O)	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[6])(O)	O(PC[6a]2O)	O(C[6]C[5,6]C[6]H)(PC[6a]2O)	114.9835	0.282	2	114.9835	0.080	2	114.2597	1.612	3	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)2(OC[6])(O)	O(PC[6a]2O)	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	P(C[6a]C[6a]2)2(OC[6])(O)	O(PC[6a]2O)	O(C[6]C[6,6]C[6]H)(PC[6a]2O)	112.8120	0.000	1	112.8120	0.000	1	114.2597	1.612	3	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CCCH)	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CCCH)	116.4300	0.000	1	116.4300	0.000	1	114.7418	1.800	5	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CCHH)	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CCHH)	114.4840	1.751	2	114.4840	3.065	2	114.7418	1.800	5	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CC[3]CH)	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CC[3]CH)	114.6370	0.000	1	114.6370	0.000	1	114.7418	1.800	5	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CH3)	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)	O(PC[6a]2O)(CH3)	113.6740	0.000	1	113.6740	0.000	1	114.7418	1.800	5	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:O-2:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(OP)(O)	O(PC[6a]2O)	O(PC[6a]2Fe)(PC[6a]2O)	P(C[6a]C[6a]2)2(OP)(O)	O(PC[6a]2O)	O(PC[6a]2Fe)(PC[6a]2O)	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:N-3:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(NC[6]H)(OC[6])(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	P(C[6a]C[6a]2)(NC[6]H)(OC[6])(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	116.1410	0.000	1	116.1410	0.000	1	115.4840	0.863	2	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:N-3:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(NC[6a]H)(OC[6])(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	P(C[6a]C[6a]2)(NC[6a]H)(OC[6])(O)	O(PC[6a]NO)	O(C[6]C[6]2H)(PC[6a]NO)	114.8270	0.000	1	114.8270	0.000	1	115.4840	0.863	2	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:N-3:O-2:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)(NCC)(OP)(O)	O(PC[6a]NO)	O(PC[6a]NO)2	P(C[6a]C[6a]2)(NCC)(OP)(O)	O(PC[6a]NO)	O(PC[6a]NO)2	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	C[6a]-3:N[6]-3:O-2:O-1:	P-4:	P-4:B-4:	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	O(PC[6a]N[6]O)	O(PC[6a]N[6]O)(BC[6a]3)	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	O(PC[6a]N[6]O)	O(PC[6a]N[6]O)(BC[6a]3)	121.4760	0.000	1	121.4760	0.000	1	121.4760	0.000	1	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	N-3:N-3:O-2:O-1:	P-4:	C-4:P-4:	P(NC[6a]H)2(OC)(O)	O(PNNO)	O(CCHH)(PNNO)	P(NC[6a]H)2(OC)(O)	O(PNNO)	O(CCHH)(PNNO)	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	N-3:N-3:O-2:O-1:	P-4:	P-4:P-4:	P(NCC)2(OP)(O)	O(PNNO)	O(PNNO)2	P(NCC)2(OP)(O)	O(PNNO)	O(PNNO)2	112.4100	0.000	1	112.4100	0.000	1	111.8428	0.962	6	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	N-3:N-3:O-2:O-1:	P-4:	P-4:P-4:	P(NCH)2(OP)(O)	O(PNNO)	O(PNNO)2	P(NCH)2(OP)(O)	O(PNNO)	O(PNNO)2	111.0880	0.417	2	111.0880	0.174	2	111.8428	0.962	6	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:3:2:1:	4:	4:4:	N-3:N-3:O-2:O-1:	P-4:	P-4:P-4:	P(NC[6a]H)2(OP)(O)	O(PNNO)	O(PNNO)2	P(NC[6a]H)2(OP)(O)	O(PNNO)	O(PNNO)2	112.1570	1.200	3	112.1570	1.439	3	111.8428	0.962	6	114.6040	6.167	24	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:1:	C[5a]-3:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	O(PC[5a]CO)	O(PC[5a]CO)(H)	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	O(PC[5a]CO)	O(PC[5a]CO)(H)	114.5640	0.000	1	114.5640	0.000	1	114.5640	0.000	1	115.2251	1.020	11	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(CCHH)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	114.7647	0.427	4	114.7647	0.182	4	115.2912	1.080	10	115.2251	1.020	11	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(CC[6a]HH)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	P(C[6a]C[6a]2)(CC[6a]HH)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	114.7270	0.000	1	114.7270	0.000	1	115.2912	1.080	10	115.2251	1.020	11	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(CH3)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	P(C[6a]C[6a]2)(CH3)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	114.2700	0.000	1	114.2700	0.000	1	115.2912	1.080	10	115.2251	1.020	11	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(C[6a]C[6a]2)(CN[6]HH)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	P(C[6a]C[6a]2)(CN[6]HH)(OH)(O)	O(PC[6a]CO)	O(PC[6a]CO)(H)	116.2140	1.048	4	116.2140	1.099	4	115.2912	1.080	10	115.2251	1.020	11	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6]-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]2)(CCHN)(OC)(O)	O(PC[6]CO)	O(PC[6]CO)(CCHH)	P(C[6]C[6]2)(CCHN)(OC)(O)	O(PC[6]CO)	O(PC[6]CO)(CCHH)	116.1680	0.000	1	116.1680	0.000	1	116.1680	0.000	1	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	114.3930	0.000	1	114.3930	0.000	1	114.4832	0.297	5	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	114.1983	0.150	3	114.1983	0.022	3	114.4832	0.297	5	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	115.4280	0.000	1	115.4280	0.000	1	114.4832	0.297	5	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(CCHO)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	116.5490	0.000	1	116.5490	0.000	1	114.1226	2.360	7	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(CCHO)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHP)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHP)	114.0440	0.000	1	114.0440	0.000	1	114.1226	2.360	7	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	114.2160	0.000	2	114.2160	0.000	2	114.1226	2.360	7	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCCH)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCCH)	115.2930	0.000	1	115.2930	0.000	1	114.1226	2.360	7	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	O(PC[6a]CO)	O(PC[6a]CO)(CCHH)	112.2700	0.119	2	112.2700	0.014	2	114.1226	2.360	7	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	C[6a]-3:C[6]-4:O-2:O-1:	P-4:	P-4:C[6]-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)(OC[6])(O)	O(PC[6a]C[6]O)	O(PC[6a]C[6]O)(C[6]C[6]2H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(OC[6])(O)	O(PC[6a]C[6]O)	O(PC[6a]C[6]O)(C[6]C[6]2H)	114.0610	0.000	1	114.0610	0.000	1	114.0610	0.000	1	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:4:2:1:	4:	4:4:	N-3:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(NC[6]C)(CHHO)(OC)(O)	O(PCNO)	O(PCNO)(CH3)	P(NC[6]C)(CHHO)(OC)(O)	O(PCNO)	O(PCNO)(CH3)	114.3045	0.947	2	114.3045	0.896	2	114.3045	0.896	2	114.3820	1.338	16	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	3:5:2:1:	4:	4:4:	C[6a]-3:C-5:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[6a]C[6a]2)(CC[6a]CHO)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]CHO)(OC[6])(O)	O(PC[6a]CO)	O(C[6]C[6]2H)(PC[6a]CO)	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	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)	O(PClCO)	O(PClCO)(H)	P(CSi2H)(OH)(Cl)(O)	O(PClCO)	O(PClCO)(H)	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:H-1:O-1:	P-4:	P-4:H-1:	P(CCHH)(OH)(H)(O)	O(PCHO)	O(PCHO)(H)	P(CCHH)(OH)(H)(O)	O(PCHO)	O(PCHO)(H)	115.6250	0.000	1	115.6250	0.000	1	116.6268	2.415	4	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:H-1:O-1:	P-4:	P-4:H-1:	P(CHHN)(OH)(H)(O)	O(PCHO)	O(PCHO)(H)	P(CHHN)(OH)(H)(O)	O(PCHO)	O(PCHO)(H)	117.8910	0.844	2	117.8910	0.713	2	116.6268	2.415	4	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:H-1:O-1:	P-4:	P-4:H-1:	P(CHHP)(OH)(H)(O)	O(PCHO)	O(PCHO)(H)	P(CHHP)(OH)(H)(O)	O(PCHO)	O(PCHO)(H)	115.1000	0.000	1	115.1000	0.000	1	116.6268	2.415	4	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC3)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC3)(OH)(O)2	O(PCOO)	O(PCOO)(H)	108.4117	2.432	34	108.4117	5.916	34	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCCH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCCH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.2170	2.820	2	109.2170	7.952	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCFF)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCFF)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.7925	2.749	2	110.7925	7.554	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCHH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCHH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	108.9203	2.124	82	108.9203	4.511	82	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCHN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCHN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.3536	2.977	8	110.3536	8.863	8	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCHP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCHP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.9502	1.827	4	109.9502	3.338	4	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCNP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCNP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.9747	2.416	83	109.9747	5.839	83	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CCOP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CCOP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.5653	2.529	60	109.5653	6.395	60	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[3]NP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[3]NP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.4232	1.338	4	110.4232	1.791	4	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[4]OP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[4]OP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.0300	2.316	2	110.0300	5.366	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[5]OP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[5]OP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.3735	3.516	2	109.3735	12.365	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[6]CH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[6]CH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.2755	1.703	2	109.2755	2.902	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	108.6355	5.103	2	108.6355	26.043	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[6]HO)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[6]HO)(OH)(O)2	O(PCOO)	O(PCOO)(H)	108.3650	1.496	2	108.3650	2.239	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[6a]CH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[6a]CH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.2960	1.258	4	109.2960	1.583	4	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CC[6a]HH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.1203	2.037	49	109.1203	4.148	49	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CH3)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CH3)(OH)(O)2	O(PCOO)	O(PCOO)(H)	108.2150	2.615	2	108.2150	6.838	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CHHN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CHHN)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.0171	2.497	92	110.0171	6.236	92	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CHHP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CHHP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.2243	1.167	3	110.2243	1.362	3	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CHNP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CHNP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	110.1686	1.880	32	110.1686	3.536	32	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CHPS)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CHPS)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.8285	1.989	2	109.8285	3.956	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CN[5]HP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CN[5]HP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.7900	3.403	2	109.7900	11.578	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CN[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CN[6]HH)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.6997	2.090	8	109.6997	4.366	8	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CN[6]HP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CN[6]HP)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.8600	1.205	2	109.8600	1.452	2	109.5458	5.481	485	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C[5]-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[5]C[5]2N)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)(H)	P(C[5]C[5]2N)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)(H)	109.6845	2.326	2	109.6845	5.409	2	110.8792	1.359	8	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C[5]-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[5]C[5]N[5]P)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)(H)	P(C[5]C[5]N[5]P)(OH)(O)2	O(PC[5]OO)	O(PC[5]OO)(H)	111.2775	0.245	6	111.2775	0.060	6	110.8792	1.359	8	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C[6]-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]2H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]2H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	109.1515	2.442	2	109.1515	5.962	2	109.7517	4.335	14	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	C[6]-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]N[6]H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]N[6]H)(OH)(O)2	O(PC[6]OO)	O(PC[6]OO)(H)	109.8517	2.123	12	109.8517	4.505	12	109.7517	4.335	14	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:1:	P-4:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(PO3)(OH)(O)2	O(POOP)	O(POOP)(H)	P(PO3)(OH)(O)2	O(POOP)	O(POOP)(H)	109.3959	1.483	27	109.3959	2.199	27	109.3959	2.199	27	109.6251	5.613	539	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:H-1:O-1:	P-4:	C-4:P-4:	P(CC[6a]CN)(OC)(H)(O)	O(PCHO)	O(CCHH)(PCHO)	P(CC[6a]CN)(OC)(H)(O)	O(PCHO)	O(CCHH)(PCHO)	115.3810	0.000	1	115.3810	0.000	1	115.3810	0.000	1	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CCCH)(OC)(O)2	O(PCOO)	O(CC[6]HH)(PCOO)	P(CCCH)(OC)(O)2	O(PCOO)	O(CC[6]HH)(PCOO)	107.0065	2.345	2	107.0065	5.501	2	108.8376	7.081	24	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CC[6]HH)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	P(CC[6]HH)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	108.2920	6.954	2	108.2920	48.354	2	108.8376	7.081	24	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CC[6a]HH)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HH)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	109.0992	2.461	4	109.0992	6.056	4	108.8376	7.081	24	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CC[6a]HN)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HN)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	109.2527	2.401	10	109.2527	5.764	10	108.8376	7.081	24	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CCl2P)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	P(CCl2P)(OC)(O)2	O(PCOO)	O(CCHH)(PCOO)	108.3245	2.389	4	108.3245	5.708	4	108.8376	7.081	24	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	C-4:P-4:	P(CFFS)(OC)(O)2	O(PCOO)	O(CCCH)(PCOO)	P(CFFS)(OC)(O)2	O(PCOO)	O(CCCH)(PCOO)	109.6415	3.191	2	109.6415	10.184	2	108.8376	7.081	24	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	P-4:C-4:	P(CCCN)(OC)(O)2	O(PCOO)	O(PCOO)(CH3)	P(CCCN)(OC)(O)2	O(PCOO)	O(PCOO)(CH3)	108.7150	0.911	2	108.7150	0.829	2	108.5457	3.170	4	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C-4:O-2:O-1:O-1:	P-4:	P-4:C-4:	P(CCHO)(OC)(O)2	O(PCOO)	O(PCOO)(CH3)	P(CCHO)(OC)(O)2	O(PCOO)	O(PCOO)(CH3)	108.3765	2.927	2	108.3765	8.566	2	108.5457	3.170	4	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:1:1:	4:	4:4:	C[5]-4:O-2:O-1:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]2H)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]2H)(OC)(O)2	O(PC[5]OO)	O(PC[5]OO)(CCHH)	108.4935	3.327	2	108.4935	11.069	2	108.4935	11.069	2	108.9888	7.537	31	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC3)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC3)(OH)2(O)	O(PCOO)	O(PCOO)(H)	111.6450	2.534	3	111.6450	6.419	3	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC3)(OMn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CC3)(OMn)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.9893	2.280	3	108.9893	5.200	3	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCHH)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCHH)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	115.0900	0.000	1	115.0900	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCHH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CCHH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	111.7321	2.108	62	111.7321	4.443	62	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCHH)(OMn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCHH)(OMn)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.9490	0.000	1	108.9490	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCHH)(OZn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCHH)(OZn)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.3600	2.087	5	108.3600	4.356	5	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCHP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CCHP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	113.6028	3.487	4	113.6028	12.158	4	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCNP)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCNP)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	110.4195	3.350	2	110.4195	11.220	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCNP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CCNP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	114.2620	2.159	12	114.2620	4.660	12	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCNP)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCNP)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	110.3187	0.360	3	110.3187	0.130	3	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(OCo)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(OCo)(OH)(O)	O(PCOO)	O(PCOO)(H)	109.2150	2.365	6	109.2150	5.593	6	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	111.1492	1.495	6	111.1492	2.234	6	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	112.5474	2.380	32	112.5474	5.665	32	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(OMg)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(OMg)(OH)(O)	O(PCOO)	O(PCOO)(H)	110.1877	2.034	6	110.1877	4.136	6	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(OMn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(OMn)(OH)(O)	O(PCOO)	O(PCOO)(H)	110.6610	0.625	2	110.6610	0.391	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.8713	2.031	12	108.8713	4.127	12	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CCOP)(OZn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CCOP)(OZn)(OH)(O)	O(PCOO)	O(PCOO)(H)	109.5998	1.261	5	109.5998	1.591	5	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[4]OP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[4]OP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	111.0385	2.326	2	111.0385	5.409	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[5]OP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[5]OP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	113.7600	1.171	2	113.7600	1.371	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[5a]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[5a]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	112.7957	2.723	4	112.7957	7.415	4	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[6]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	113.1270	2.338	6	113.1270	5.465	6	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]3)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]3)(OH)2(O)	O(PCOO)	O(PCOO)(H)	112.5667	0.325	4	112.5667	0.105	4	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]CH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]CH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	112.4690	2.319	2	112.4690	5.379	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]HH)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	114.0115	0.551	2	114.0115	0.303	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(OCd)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]HH)(OCd)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.6590	0.000	1	108.6590	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]HH)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	110.7390	0.000	1	110.7390	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	112.2344	2.281	40	112.2344	5.202	40	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]HH)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.1853	0.263	3	108.1853	0.069	3	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HN)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]HN)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	113.5450	0.000	1	113.5450	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]OP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CC[6a]OP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	114.4577	1.288	12	114.4577	1.659	12	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CH3)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CH3)(OH)2(O)	O(PCOO)	O(PCOO)(H)	112.3513	1.317	6	112.3513	1.734	6	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CH3)(OSn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CH3)(OSn)(OH)(O)	O(PCOO)	O(PCOO)(H)	110.0780	1.608	4	110.0780	2.584	4	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHN)(OCo)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CHHN)(OCo)(OH)(O)	O(PCOO)	O(PCOO)(H)	112.0820	0.621	2	112.0820	0.385	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHN)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CHHN)(OCu)(OH)(O)	O(PCOO)	O(PCOO)(H)	109.8350	0.000	1	109.8350	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHN)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CHHN)(OH)2(O)	O(PCOO)	O(PCOO)(H)	113.5934	3.503	12	113.5934	12.272	12	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHN)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CHHN)(ONi)(OH)(O)	O(PCOO)	O(PCOO)(H)	108.5110	0.000	1	108.5110	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHN)(OZn)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CHHN)(OZn)(OH)(O)	O(PCOO)	O(PCOO)(H)	106.3650	0.000	1	106.3650	0.000	1	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHP)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CHHP)(OC)(OH)(O)	O(PCOO)	O(PCOO)(H)	114.8225	1.350	2	114.8225	1.822	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHHP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CHHP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	113.5605	1.865	4	113.5605	3.479	4	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHNP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CHNP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	114.2081	1.873	26	114.2081	3.509	26	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CHPS)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CHPS)(OH)2(O)	O(PCOO)	O(PCOO)(H)	113.6215	0.381	2	113.6215	0.145	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CN[5]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CN[5]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	115.3210	2.158	2	115.3210	4.657	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CN[5]HP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CN[5]HP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	114.4245	3.792	2	114.4245	14.381	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CN[6]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CN[6]HH)(OH)2(O)	O(PCOO)	O(PCOO)(H)	114.3670	3.605	2	114.3670	12.995	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(CN[6]HP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	P(CN[6]HP)(OH)2(O)	O(PCOO)	O(PCOO)(H)	115.0135	1.118	2	115.0135	1.250	2	112.1702	6.925	314	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[5]C[5]2C)(OH)2(O)	O(PC[5]OO)	O(PC[5]OO)(H)	P(C[5]C[5]2C)(OH)2(O)	O(PC[5]OO)	O(PC[5]OO)(H)	113.3545	0.906	2	113.3545	0.820	2	113.2929	2.759	10	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[5]C[5]2Fe)(OH)2(O)	O(PC[5]OO)	O(PC[5]OO)(H)	P(C[5]C[5]2Fe)(OH)2(O)	O(PC[5]OO)	O(PC[5]OO)(H)	111.6330	1.662	2	111.6330	2.761	2	113.2929	2.759	10	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[5]C[5]N[5]P)(OH)2(O)	O(PC[5]OO)	O(PC[5]OO)(H)	P(C[5]C[5]N[5]P)(OH)2(O)	O(PC[5]OO)	O(PC[5]OO)(H)	113.8257	1.675	6	113.8257	2.806	6	113.2929	2.759	10	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]2H)(OH)2(O)	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]2H)(OH)2(O)	O(PC[6]OO)	O(PC[6]OO)(H)	112.7590	0.000	1	112.7590	0.000	1	114.7107	2.877	3	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(C[6]C[6]N[6]H)(OH)2(O)	O(PC[6]OO)	O(PC[6]OO)(H)	P(C[6]C[6]N[6]H)(OH)2(O)	O(PC[6]OO)	O(PC[6]OO)(H)	115.6865	0.200	2	115.6865	0.040	2	114.7107	2.877	3	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:1:	P-4:O-2:O-2:O-1:	P-4:	P-4:H-1:	P(PO3)(OH)2(O)	O(POOP)	O(POOP)(H)	P(PO3)(OH)2(O)	O(POOP)	O(POOP)(H)	114.5559	1.768	27	114.5559	3.127	27	114.5559	3.127	27	112.4054	6.928	354	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	B-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(BC[6a]3)(OC)2(O)	O(PBOO)	O(CCHH)(PBOO)	P(BC[6a]3)(OC)2(O)	O(PBOO)	O(CCHH)(PBOO)	111.3795	1.671	2	111.3795	2.792	2	111.3795	2.792	2	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	B-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(BH3)(OC)2(O)	O(PBOO)	O(PBOO)(CH3)	P(BH3)(OC)2(O)	O(PBOO)	O(PBOO)(CH3)	105.9125	6.522	2	105.9125	42.532	2	105.9125	42.532	2	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:C-2:O-1:	P-4:	C[6]-4:P-4:	P(CC[6a]HH)(OC[6])(CC)(O)	O(PCCO)	O(C[6]C[6]2H)(PCCO)	P(CC[6a]HH)(OC[6])(CC)(O)	O(PCCO)	O(C[6]C[6]2H)(PCCO)	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCCH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCCH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.8518	1.141	4	114.8518	1.303	4	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCCN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCCN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.8759	1.899	14	115.8759	3.605	14	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCCO)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CCCO)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	114.8713	0.951	4	114.8713	0.904	4	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCCP)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCCP)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.9285	1.219	12	114.9285	1.485	12	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCFF)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CCFF)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	116.4380	1.687	2	116.4380	2.846	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCFF)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCFF)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	117.3080	1.029	4	117.3080	1.059	4	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCFH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCFH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	116.4010	0.774	2	116.4010	0.598	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCHH)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCHH)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	113.4420	0.000	1	113.4420	0.000	1	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCHH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCHH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	113.0400	4.832	18	113.0400	23.347	18	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCHN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCHN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.2254	1.443	40	114.2254	2.083	40	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCHN)(OC)2(O)	O(PCOO)	O(CC[6a]HH)(PCOO)	P(CCHN)(OC)2(O)	O(PCOO)	O(CC[6a]HH)(PCOO)	114.8200	0.175	2	114.8200	0.031	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCHO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCHO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.9387	1.153	14	114.9387	1.329	14	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CCHP)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CCHP)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.3227	1.034	12	115.3227	1.069	12	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[3]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[3]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.5623	1.311	3	115.5623	1.718	3	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[3]HO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[3]HO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.8360	1.004	2	114.8360	1.008	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[5]HH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[5]HH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.7315	0.771	2	114.7315	0.595	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[5]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[5]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	112.2905	5.556	2	112.2905	30.866	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[5a]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[5a]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	112.6695	4.748	2	112.6695	22.546	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6]HH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6]HH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	116.0170	0.970	8	116.0170	0.941	8	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	117.2602	1.972	12	117.2602	3.888	12	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]CH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]CH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.0305	0.455	2	115.0305	0.207	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]CN)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CC[6a]CN)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	115.8890	2.015	2	115.8890	4.061	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]CN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]CN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	117.5290	0.000	1	117.5290	0.000	1	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]C[5]O)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]C[5]O)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.5940	0.655	2	114.5940	0.429	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HH)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HH)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	114.1295	2.822	2	114.1295	7.964	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HH)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CC[6a]HH)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	114.3110	1.744	6	114.3110	3.043	6	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HH)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.1264	2.248	20	114.1264	5.052	20	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HH)(OCu)(OC)(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HH)(OCu)(OC)(O)	O(PCOO)	O(CCHH)(PCOO)	110.8660	0.000	1	110.8660	0.000	1	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HN)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HN)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	114.7040	0.000	1	114.7040	0.000	1	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HN)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CC[6a]HN)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	114.4315	2.721	10	114.4315	7.403	10	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.1033	1.640	40	115.1033	2.689	40	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	115.3795	1.299	2	115.3795	1.687	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.7905	1.100	6	114.7905	1.210	6	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(CC[6a]HH)(PCOO)	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(CC[6a]HH)(PCOO)	114.4005	1.604	8	114.4005	2.573	8	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]HP)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]HP)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.3200	4.075	4	114.3200	16.602	4	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CC[6a]N[5a]H)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CC[6a]N[5a]H)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	115.8290	1.051	2	115.8290	1.104	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CFFS)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CFFS)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	118.1670	2.490	2	118.1670	6.202	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CH3)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CH3)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	114.8790	0.000	1	114.8790	0.000	1	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CH3)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CH3)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	112.8300	0.000	1	112.8300	0.000	1	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CHHN)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	112.7122	2.208	4	112.7122	4.874	4	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHO)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CHHO)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	113.2860	4.827	2	113.2860	23.297	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CHHO)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	114.7879	3.245	7	114.7879	10.529	7	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHO)(OC)2(O)	O(PCOO)	O(CHHO)(PCOO)	P(CHHO)(OC)2(O)	O(PCOO)	O(CHHO)(PCOO)	115.3702	1.591	4	115.3702	2.530	4	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHP)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	P(CHHP)(OC)(OH)(O)	O(PCOO)	O(CCHH)(PCOO)	114.7270	2.226	2	114.7270	4.955	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHS)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	P(CHHS)(OC)2(O)	O(PCOO)	O(CCCH)(PCOO)	115.7965	1.339	11	115.7965	1.794	11	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(CHHS)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	P(CHHS)(OC)2(O)	O(PCOO)	O(CCHH)(PCOO)	116.6000	0.423	2	116.6000	0.179	2	114.8583	5.095	305	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCCH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCCH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	115.6690	0.527	4	115.6690	0.278	4	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCCO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCCO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	115.1775	0.548	2	115.1775	0.300	2	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCHH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCHH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.2102	2.243	5	114.2102	5.031	5	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCHN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCHN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	113.2925	1.131	2	113.2925	1.278	2	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCHO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCHO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	113.6972	2.485	12	113.6972	6.178	12	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CCHP)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CCHP)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	115.8320	2.210	4	115.8320	4.882	4	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[3]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[3]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	115.0150	1.123	4	115.0150	1.261	4	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[5a]CH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[5a]CH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	111.7625	3.847	2	111.7625	14.802	2	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[5a]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[5a]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.2690	3.189	2	114.2690	10.170	2	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6]HN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6]HN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	115.5320	0.000	1	115.5320	0.000	1	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	112.9825	3.634	2	112.9825	13.205	2	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]CH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]CH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.9698	1.202	6	114.9698	1.445	6	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]CN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]CN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	113.9230	0.000	1	113.9230	0.000	1	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]CO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]CO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.0763	2.013	12	114.0763	4.053	12	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]C[3]O)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]C[3]O)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.9800	1.618	2	114.9800	2.617	2	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]HH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]HH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	111.8988	3.389	4	111.8988	11.487	4	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]HN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]HN)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	115.0453	1.228	18	115.0453	1.508	18	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CC[6a]HO)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	114.8363	1.827	16	114.8363	3.338	16	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(CClCH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	P(CClCH)(OC)2(O)	O(PCOO)	O(PCOO)(CH3)	116.1760	0.532	6	116.1760	0.283	6	114.5471	3.987	105	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[3]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[3]C[3]2C)(OC)2(O)	O(PC[3]OO)	O(PC[3]OO)(CCHH)	P(C[3]C[3]2C)(OC)2(O)	O(PC[3]OO)	O(PC[3]OO)(CCHH)	114.9555	1.658	2	114.9555	2.750	2	115.0241	1.018	10	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[3]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[3]C[3]2N)(OC)2(O)	O(PC[3]OO)	O(PC[3]OO)(CCHH)	P(C[3]C[3]2N)(OC)2(O)	O(PC[3]OO)	O(PC[3]OO)(CCHH)	115.0412	0.956	8	115.0412	0.914	8	115.0241	1.018	10	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[4]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[4]C[4]N[4]C)(OC)2(O)	O(PC[4]OO)	O(PC[4]OO)(CH3)	P(C[4]C[4]N[4]C)(OC)2(O)	O(PC[4]OO)	O(PC[4]OO)(CH3)	116.2820	1.848	2	116.2820	3.416	2	116.2820	3.416	2	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5,5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	O(PC[5,5]OO)	O(PC[5,5]OO)(CCHH)	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	O(PC[5,5]OO)	O(PC[5,5]OO)(CCHH)	116.5690	1.783	2	116.5690	3.180	2	116.7280	2.076	6	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5,5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	O(PC[5,5]OO)	O(PC[5,5]OO)(CCHH)	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	O(PC[5,5]OO)	O(PC[5,5]OO)(CCHH)	116.8075	1.541	4	116.8075	2.375	4	116.7280	2.076	6	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[5,6]-4:P-4:	P(C[5]C[5]2Fe)(OC[5,6])2(O)	O(PC[5]OO)	O(C[5,6]C[5,5,6]C[5,6]H)(PC[5]OO)	P(C[5]C[5]2Fe)(OC[5,6])2(O)	O(PC[5]OO)	O(C[5,6]C[5,5,6]C[5,6]H)(PC[5]OO)	114.9010	3.142	2	114.9010	9.875	2	114.9010	9.875	2	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(C[5]C[5]2Fe)(OC[5])(OC[6])(O)	O(PC[5]OO)	O(C[5]C[5]2Fe)(PC[5]OO)	P(C[5]C[5]2Fe)(OC[5])(OC[6])(O)	O(PC[5]OO)	O(C[5]C[5]2Fe)(PC[5]OO)	113.4070	0.000	1	113.4070	0.000	1	114.8083	2.554	3	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[5]-4:P-4:	P(C[5]C[5]2Fe)(OC[5])2(O)	O(PC[5]OO)	O(C[5]C[5]2Fe)(PC[5]OO)	P(C[5]C[5]2Fe)(OC[5])2(O)	O(PC[5]OO)	O(C[5]C[5]2Fe)(PC[5]OO)	115.5090	1.471	2	115.5090	2.163	2	114.8083	2.554	3	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(C[5]C[5]2Fe)(OC[5])(OC[6])(O)	O(PC[5]OO)	O(C[6]C[6]2H)(PC[5]OO)	P(C[5]C[5]2Fe)(OC[5])(OC[6])(O)	O(PC[5]OO)	O(C[6]C[6]2H)(PC[5]OO)	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[3x5,6]N[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]C[3x5,6]N[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	115.0735	2.849	4	115.0735	8.120	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5,6a]O[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]C[5,6a]O[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	113.3350	4.312	2	113.3350	18.593	2	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]2C)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]2C)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	115.2900	1.582	4	115.2900	2.502	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]2Fe)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]2Fe)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	114.2025	1.217	2	114.2025	1.481	2	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]2H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]2H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	115.7475	1.555	4	115.7475	2.419	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5]C)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCCH)	P(C[5]C[5]N[5]C)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCCH)	114.9380	1.266	4	114.9380	1.603	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5]C)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]N[5]C)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	114.9407	1.605	4	114.9407	2.576	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]N[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	111.7140	3.322	2	111.7140	11.036	2	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]N[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]C[5]N[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	114.9977	1.683	4	114.9977	2.831	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]O[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]O[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	116.0897	0.725	6	116.0897	0.525	6	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]O[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]C[5]O[5]H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	115.8261	1.755	8	115.8261	3.079	8	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[5]O[5]O)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[5]O[5]O)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	117.2980	0.054	2	117.2980	0.003	2	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[6a]C[5]2)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[6a]C[5]2)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	113.6725	1.864	4	113.6725	3.473	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]C[6a]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]C[6a]C[5]N[5])(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	115.3895	2.623	2	115.3895	6.878	2	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]S[5]2H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	P(C[5]S[5]2H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CCHH)	115.5018	1.473	4	115.5018	2.170	4	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[5]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[5]S[5]2H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	P(C[5]S[5]2H)(OC)2(O)	O(PC[5]OO)	O(PC[5]OO)(CH3)	114.8435	0.715	2	114.8435	0.511	2	115.1269	3.534	58	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6,6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	O(PC[6,6]OO)	O(PC[6,6]OO)(CCHH)	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	O(PC[6,6]OO)	O(PC[6,6]OO)(CCHH)	115.1835	1.186	2	115.1835	1.406	2	115.1835	1.406	2	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	114.9868	1.103	4	114.9868	1.217	4	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6,6]C[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[6,6]C[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	115.2620	0.787	4	115.2620	0.619	4	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCCH)	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCCH)	115.0180	2.636	2	115.0180	6.949	2	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6,6a]N[6]C)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[6,6a]N[6]C)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	115.8560	0.266	2	115.8560	0.071	2	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6,6a]N[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[6,6a]N[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	115.0595	0.827	2	115.0595	0.683	2	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]2C)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[6]2C)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	114.3750	1.791	4	114.3750	3.208	4	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]2H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[6]2H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	114.2822	1.527	6	114.2822	2.330	6	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]2H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[6]2H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	113.8907	1.479	4	113.8907	2.187	4	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]N[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[6]N[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	115.3965	0.984	2	115.3965	0.967	2	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]N[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	P(C[6]C[6]N[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CH3)	115.8000	2.063	4	115.8000	4.254	4	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:2:1:	4:	4:4:	C[6]-4:O-2:O-2:O-1:	P-4:	P-4:C-4:	P(C[6]C[6]O[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	P(C[6]C[6]O[6]H)(OC)2(O)	O(PC[6]OO)	O(PC[6]OO)(CCHH)	115.7085	1.310	2	115.7085	1.717	2	114.9174	2.042	36	114.8206	4.783	535	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:2:4:1:	4:	4:4:	C-4:O-2:C-4:O-1:	P-4:	C[6]-4:P-4:	P(CC[6a]HH)(OC[6])(CHHN)(O)	O(PCCO)	O(C[6]C[6]2H)(PCCO)	P(CC[6a]HH)(OC[6])(CHHN)(O)	O(PCCO)	O(C[6]C[6]2H)(PCCO)	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:3:2:1:	4:	4:1:	C-4:O-3:O-2:O-1:	P-4:	P-4:H-1:	P(CHHN)(OLi2)(OH)(O)	O(PCOO)	O(PCOO)(H)	P(CHHN)(OLi2)(OH)(O)	O(PCOO)	O(PCOO)(H)	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	112.9165	5.588	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:3:2:1:	4:	4:1:	C[5]-4:C[6a]-3:O-2:O-1:	P-4:	P-4:H-1:	P(C[5]C[5,6a]2H)(C[6a]C[6a]2)(OH)(O)	O(PC[6a]C[5]O)	O(PC[6a]C[5]O)(H)	P(C[5]C[5,6a]2H)(C[6a]C[6a]2)(OH)(O)	O(PC[6a]C[5]O)	O(PC[6a]C[5]O)(H)	114.5880	0.000	1	114.5880	0.000	1	114.5880	0.000	1	112.9165	5.588	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:3:2:1:	4:	4:4:	C-4:N-3:O-2:O-1:	P-4:	P-4:C-4:	P(CHHO)(NCC)(OC)(O)	O(PCNO)	O(PCNO)(CH3)	P(CHHO)(NCC)(OC)(O)	O(PCNO)	O(PCNO)(CH3)	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	114.4300	0.620	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:3:2:1:	4:	4:4:	C[5]-4:C[6a]-3:O-2:O-1:	P-4:	C[5]-4:P-4:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC[5])(O)	O(PC[6a]C[5]O)	O(C[5]C[5]2Fe)(PC[6a]C[5]O)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(OC[5])(O)	O(PC[6a]C[5]O)	O(C[5]C[5]2Fe)(PC[6a]C[5]O)	113.8730	0.000	1	113.8730	0.000	1	113.8730	0.000	1	114.4300	0.620	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:1:	C-4:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(CCHH)(CH3)(OH)(O)	O(PCCO)	O(PCCO)(H)	P(CCHH)(CH3)(OH)(O)	O(PCCO)	O(PCCO)(H)	112.9065	0.240	2	112.9065	0.057	2	113.0787	0.118	3	113.0787	0.118	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:1:	C-4:C-4:O-2:O-1:	P-4:	P-4:H-1:	P(CC[6a]HH)(CH3)(OH)(O)	O(PCCO)	O(PCCO)(H)	P(CC[6a]HH)(CH3)(OH)(O)	O(PCCO)	O(PCCO)(H)	113.4230	0.000	1	113.4230	0.000	1	113.0787	0.118	3	113.0787	0.118	3	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:4:	C-4:C-4:O-2:O-1:	P-4:	C-4:P-4:	P(CC3)2(OC)(O)	O(PCCO)	O(CCo2C)(PCCO)	P(CC3)2(OC)(O)	O(PCCO)	O(CCo2C)(PCCO)	115.4740	0.000	1	115.4740	0.000	1	115.2165	0.133	2	115.4386	0.144	5	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:4:	C-4:C-4:O-2:O-1:	P-4:	C-4:P-4:	P(CCHH)(CCHN)(OC)(O)	O(PCCO)	O(CCHH)(PCCO)	P(CCHH)(CCHN)(OC)(O)	O(PCCO)	O(CCHH)(PCCO)	114.9590	0.000	1	114.9590	0.000	1	115.2165	0.133	2	115.4386	0.144	5	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:4:	C-4:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(CCHN)(CHHO)(OC)(O)	O(PCCO)	O(PCCO)(CH3)	P(CCHN)(CHHO)(OC)(O)	O(PCCO)	O(PCCO)(CH3)	115.2000	0.000	1	115.2000	0.000	1	115.5867	0.139	3	115.4386	0.144	5	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:4:	C-4:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]2F)2(OC)(O)	O(PCCO)	O(PCCO)(CH3)	P(CC[6a]2F)2(OC)(O)	O(PCCO)	O(PCCO)(CH3)	115.6170	0.000	1	115.6170	0.000	1	115.5867	0.139	3	115.4386	0.144	5	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	4:4:2:1:	4:	4:4:	C-4:C-4:O-2:O-1:	P-4:	P-4:C-4:	P(CC[6a]CN)(CHHO)(OC)(O)	O(PCCO)	O(PCCO)(CH3)	P(CC[6a]CN)(CHHO)(OC)(O)	O(PCCO)	O(PCCO)(CH3)	115.9430	0.000	1	115.9430	0.000	1	115.5867	0.139	3	115.4386	0.144	5	110.8224	12.668	4179	110.8224	12.668	4179
992	863	893	0:SP3_SP2_SP3	P	O	O	5:2:1:1:	4:	4:1:	C-5:O-2:O-1:O-1:	P-4:	P-4:H-1:	P(CH3N)(OH)(O)2	O(PCOO)	O(PCOO)(H)	P(CH3N)(OH)(O)2	O(PCOO)	O(PCOO)(H)	109.7740	1.481	2	109.7740	2.192	2	109.7740	2.192	2	109.7740	2.192	2	110.8224	12.668	4179	110.8224	12.668	4179
992	863	901	0:SP3_SP1_SP2	P	O	N	3:2:1:1:	4:	4:	C[6a]-3:O-2:N-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(OC[6])(N)(O)	O(PC[6a]NO)	N(PC[6a]OO)	P(C[6a]C[6a]2)(OC[6])(N)(O)	O(PC[6a]NO)	N(PC[6a]OO)	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1	113.4530	0.000	1
992	863	909	0:SP3_SP2_SP2	P	O	S	2:2:2:1:	4:	3:4:	S-2:S-2:S-2:O-1:	P-4:	C[6a]-3:P-4:	P(SC[6a])3(O)	O(PS3)	S(C[6a]C[6a]2)(POSS)	P(SC[6a])3(O)	O(PS3)	S(C[6a]C[6a]2)(POSS)	113.8827	5.025	3	113.8827	25.250	3	113.8827	25.250	3	113.8827	25.250	3	114.7012	13.881	5	114.7012	13.881	5
992	863	909	0:SP3_SP2_SP2	P	O	S	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:S-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(SC[6a])(O)	O(PC[6a]2S)	S(C[6a]C[6a]2)(PC[6a]2O)	P(C[6a]C[6a]2)2(SC[6a])(O)	O(PC[6a]2S)	S(C[6a]C[6a]2)(PC[6a]2O)	115.9290	0.010	2	115.9290	0.000	2	115.9290	0.000	2	115.9290	0.000	2	114.7012	13.881	5	114.7012	13.881	5
992	863	909	0:SP3_SP2_SP3	P	O	S	2:2:1:1:	4:	4:4:	O-2:S-2:O-1:S-1:	P-4:	C-4:P-4:	P(OC)(SC)(O)(S)	O(POSS)	S(CC[6a]HH)(POOS)	P(OC)(SC)(O)(S)	O(POSS)	S(CC[6a]HH)(POOS)	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	112.2384	12.078	8	112.2384	12.078	8
992	863	909	0:SP3_SP2_SP3	P	O	S	2:2:2:1:	4:	4:4:	S-2:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:	P(SC[6])(OC)2(O)	O(POOS)	S(C[6]C[6]2C)(PO3)	P(SC[6])(OC)2(O)	O(POOS)	S(C[6]C[6]2C)(PO3)	113.2105	0.756	2	113.2105	0.571	2	113.2105	0.571	2	113.2105	0.571	2	112.2384	12.078	8	112.2384	12.078	8
992	863	909	0:SP3_SP2_SP3	P	O	S	3:2:2:1:	4:	4:2:	C[6a]-3:O-2:S-2:O-1:	P-4:	P-4:S-2:	P(C[6a]C[6a]2)(OC[6])(SS)(O)	O(PC[6a]OS)	S(PC[6a]OO)(SP)	P(C[6a]C[6a]2)(OC[6])(SS)(O)	O(PC[6a]OS)	S(PC[6a]OO)(SP)	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	112.2384	12.078	8	112.2384	12.078	8
992	863	909	0:SP3_SP2_SP3	P	O	S	3:2:2:1:	4:	4:4:	C[6a]-3:O-2:S-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(OC[6])(SC)(O)	O(PC[6a]OS)	S(PC[6a]OO)(CH3)	P(C[6a]C[6a]2)(OC[6])(SC)(O)	O(PC[6a]OS)	S(PC[6a]OO)(CH3)	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	115.9930	0.000	1	112.2384	12.078	8	112.2384	12.078	8
992	863	909	0:SP3_SP2_SP3	P	O	S	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:S-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(SC)(O)	O(PC[6a]2S)	S(PC[6a]2O)(CH3)	P(C[6a]C[6a]2)2(SC)(O)	O(PC[6a]2S)	S(PC[6a]2O)(CH3)	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	112.2384	12.078	8	112.2384	12.078	8
992	863	909	0:SP3_SP2_SP3	P	O	S	4:3:2:1:	4:	4:4:	C-4:N-3:S-2:O-1:	P-4:	P-4:C-4:	P(CCHH)(NCH)(SC)(O)	O(PCNS)	S(PCNO)(CH3)	P(CCHH)(NCH)(SC)(O)	O(PCNS)	S(PCNO)(CH3)	108.3455	5.303	2	108.3455	28.118	2	108.3455	28.118	2	108.3455	28.118	2	112.2384	12.078	8	112.2384	12.078	8
992	863	930	0:SP3_SP2_SP2	P	O	C	2:2:3:1:	4:	4:3:3:	O-2:O-2:C-3:O-1:	P-4:	P-4:C-3:C-3:	P(OC[6a])2(CCC)(O)	O(PCOO)	C(PO3)(CCC)(COO)	P(OC[6a])2(CCC)(O)	O(PCOO)	C(PO3)(CCC)(COO)	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	2:2:3:1:	4:	4:4:4:	O-2:O-2:C-3:O-1:	P-4:	P-4:P-4:P-4:	P(OC[6a])2(CPP)(O)	O(PCOO)	C(PC[6a]2Pd)2(PO3)	P(OC[6a])2(CPP)(O)	O(PCOO)	C(PC[6a]2Pd)2(PO3)	114.6720	0.563	2	114.6720	0.317	2	114.6720	0.317	2	114.6720	0.317	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:1:1:	4:	3:4:1:	C-3:O-2:O-1:O-1:	P-4:	C[6a]-3:P-4:H-1:	P(CC[6a]H)(OC)(O)2	O(PCOO)	C(C[6a]C[6a]2)(PO3)(H)	P(CC[6a]H)(OC)(O)2	O(PCOO)	C(C[6a]C[6a]2)(PO3)(H)	109.0765	6.359	2	109.0765	40.437	2	109.0765	40.437	2	109.0765	40.437	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:1:1:	4:	4:1:1:	C-3:O-2:O-1:O-1:	P-4:	P-4:O-1:O-1:	P(COO)(OH)(O)2	O(PCOO)	C(PO3)(O)2	P(COO)(OH)(O)2	O(PCOO)	C(PO3)(O)2	107.7165	2.857	2	107.7165	8.165	2	107.7165	8.165	2	107.7165	8.165	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:1:1:	4:	4:3:3:	C-3:O-2:O-1:O-1:	P-4:	P-4:N-3:N-3:	P(CNN)(OH)(O)2	O(PCOO)	C(PO3)(NHH)2	P(CNN)(OH)(O)2	O(PCOO)	C(PO3)(NHH)2	108.0470	0.226	2	108.0470	0.051	2	108.0470	0.051	2	108.0470	0.051	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:1:1:	4:	4:4:1:	C-3:O-2:O-1:O-1:	P-4:	N-4:P-4:H-1:	P(CHN)(OH)(O)2	O(PCOO)	C(NCCH)(PO3)(H)	P(CHN)(OH)(O)2	O(PCOO)	C(NCCH)(PO3)(H)	106.3405	6.195	2	106.3405	38.378	2	106.3405	38.378	2	106.3405	38.378	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:1:1:	4:	4:4:2:	C-3:O-2:O-1:O-1:	P-4:	P-4:P-4:C-2:	P(CCP)(OH)(O)2	O(PCOO)	C(PO3)2(CC)	P(CCP)(OH)(O)2	O(PCOO)	C(PO3)2(CC)	108.2030	2.435	2	108.2030	5.931	2	108.2030	5.931	2	108.2030	5.931	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:3:4:	C-3:O-2:O-2:O-1:	P-4:	C[5a]-3:C[5a]-3:P-4:	P(CC[5a]2)(OC)2(O)	O(PCOO)	C(C[5a]C[5a]N[5a])2(PO3)	P(CC[5a]2)(OC)2(O)	O(PCOO)	C(C[5a]C[5a]N[5a])2(PO3)	116.5890	0.679	5	116.5890	0.460	5	116.5890	0.460	5	115.6680	5.458	6	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:3:4:	C-3:O-2:O-2:O-1:	P-4:	C[6]-3:N-3:P-4:	P(CC[6]N)(OC)2(O)	O(PCOO)	C(C[6]C[6]N[6])(NC[6a]Pt)(PO3)	P(CC[6]N)(OC)2(O)	O(PCOO)	C(C[6]C[6]N[6])(NC[6a]Pt)(PO3)	111.0630	0.000	1	111.0630	0.000	1	111.0630	0.000	1	115.6680	5.458	6	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:1:	C-3:O-2:O-2:O-1:	P-4:	C-3:P-4:H-1:	P(CCH)(OC)2(O)	O(PCOO)	C(CC[6a]Ge)(PO3)(H)	P(CCH)(OC)2(O)	O(PCOO)	C(CC[6a]Ge)(PO3)(H)	116.7580	0.000	1	116.7580	0.000	1	117.5530	1.264	2	113.5136	17.318	5	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:1:	C-3:O-2:O-2:O-1:	P-4:	C-3:P-4:H-1:	P(CCH)(OC)2(O)	O(PCOO)	C(CC[6a]O)(PO3)(H)	P(CCH)(OC)2(O)	O(PCOO)	C(CC[6a]O)(PO3)(H)	118.3480	0.000	1	118.3480	0.000	1	117.5530	1.264	2	113.5136	17.318	5	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:1:	C-3:O-2:O-2:O-1:	P-4:	C[5a]-3:P-4:H-1:	P(CC[5a]H)(OC)2(O)	O(PCOO)	C(C[5a]N[5a]S[5a])(PO3)(H)	P(CC[5a]H)(OC)2(O)	O(PCOO)	C(C[5a]N[5a]S[5a])(PO3)(H)	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	113.5136	17.318	5	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:1:	C-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:O-1:	P(CC[6a]O)(OC)2(O)	O(PCOO)	C(C[6a]C[6a]2)(PO3)(O)	P(CC[6a]O)(OC)2(O)	O(PCOO)	C(C[6a]C[6a]2)(PO3)(O)	112.1970	0.000	1	112.1970	0.000	1	112.1970	0.000	1	113.5136	17.318	5	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:1:	C-3:O-2:O-2:O-1:	P-4:	N-3:P-4:O-1:	P(CNO)(OH)2(O)	O(PCOO)	C(NC[6]H)(PO3)(O)	P(CNO)(OH)2(O)	O(PCOO)	C(NC[6]H)(PO3)(O)	107.8110	0.000	1	107.8110	0.000	1	107.8110	0.000	1	113.5136	17.318	5	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:2:	C-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:N-2:	P(CC[6a]N)(OC)2(O)	O(PCOO)	C(C[6a]C[6a]2)(PO3)(NN)	P(CC[6a]N)(OC)2(O)	O(PCOO)	C(C[6a]C[6a]2)(PO3)(NN)	112.1380	0.000	1	112.1380	0.000	1	112.1380	0.000	1	112.1380	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:3:	C-3:O-2:O-2:O-1:	P-4:	C-3:P-4:C-3:	P(CCC)(OC)2(O)	O(PCOO)	C(CC[6a]H)(PO3)(CNO)	P(CCC)(OC)2(O)	O(PCOO)	C(CC[6a]H)(PO3)(CNO)	112.3467	1.249	3	112.3467	1.559	3	112.3467	1.559	3	113.5010	6.369	4	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	3:4:3:	C-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(CC[6a]C)(OC)2(O)	O(PCOO)	C(C[6a]C[6a]2)(PO3)(CCI)	P(CC[6a]C)(OC)2(O)	O(PCOO)	C(C[6a]C[6a]2)(PO3)(CCI)	116.9640	0.000	1	116.9640	0.000	1	116.9640	0.000	1	113.5010	6.369	4	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:1:1:	C-3:O-2:O-2:O-1:	P-4:	P-4:H-1:H-1:	P(CHH)(OC)2(O)	O(PCOO)	C(PO3)(H)2	P(CHH)(OC)2(O)	O(PCOO)	C(PO3)(H)2	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:3:1:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-3:H-1:	P(CCH)(OC)2(O)	O(PCOO)	C(PO3)(CCC)(H)	P(CCH)(OC)2(O)	O(PCOO)	C(PO3)(CCC)(H)	113.7970	0.000	1	113.7970	0.000	1	113.8640	0.147	3	113.8640	0.147	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:3:1:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-3:H-1:	P(CCH)(OC)2(O)	O(PCOO)	C(PO3)(CCH)(H)	P(CCH)(OC)2(O)	O(PCOO)	C(PO3)(CCH)(H)	113.8975	0.537	2	113.8975	0.288	2	113.8640	0.147	3	113.8640	0.147	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:3:3:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-3:C-3:	P(CCC)(OC)2(O)	O(PCOO)	C(PO3)(CCC)(COO)	P(CCC)(OC)2(O)	O(PCOO)	C(PO3)(CCC)(COO)	111.9540	0.000	1	111.9540	0.000	1	109.6886	1.616	5	110.4150	2.621	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:3:3:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-3:C-3:	P(CCC)(OC)2(O)	O(PCOO)	C(PO3)(CNO)(COO)	P(CCC)(OC)2(O)	O(PCOO)	C(PO3)(CNO)(COO)	109.1222	0.130	4	109.1222	0.017	4	109.6886	1.616	5	110.4150	2.621	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:3:3:	C-3:O-2:O-2:O-1:	P-4:	P-4:C-3:N-3:	P(CCN)(OC)2(O)	O(PCOO)	C(PO3)(CHH)(NCH)	P(CCN)(OC)2(O)	O(PCOO)	C(PO3)(CHH)(NCH)	112.2310	0.160	2	112.2310	0.026	2	112.2310	0.026	2	110.4150	2.621	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:3:4:	C-3:O-2:O-2:O-1:	P-4:	C[6]-4:C[6]-3:P-4:	P(CC[6]2)(OC[6a])2(O)	O(PCOO)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(PO3)	P(CC[6]2)(OC[6a])2(O)	O(PCOO)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(PO3)	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:4:2:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:N-2:	P(CCN)(OC)2(O)	O(PCOO)	C(CC[6a]CO)(PO3)(NN)	P(CCN)(OC)2(O)	O(PCOO)	C(CC[6a]CO)(PO3)(NN)	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.7295	0.184	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:4:2:	C-3:O-2:O-2:O-1:	P-4:	C[6]-4:P-4:N-2:	P(CC[6]N)(OC)2(O)	O(PCOO)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	P(CC[6]N)(OC)2(O)	O(PCOO)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	111.0330	0.000	1	111.0330	0.000	1	111.0330	0.000	1	110.7295	0.184	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:4:3:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:C-3:	P(CCC)(OC)2(O)	O(PCOO)	C(CCHH)(PO3)(CHH)	P(CCC)(OC)2(O)	O(PCOO)	C(CCHH)(PO3)(CHH)	114.9310	0.000	1	114.9310	0.000	1	114.6930	0.113	2	114.6930	0.113	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:4:3:	C-3:O-2:O-2:O-1:	P-4:	C-4:P-4:C-3:	P(CCC)(OC)2(O)	O(PCOO)	C(CC[6a]HN)(PO3)(CHH)	P(CCC)(OC)2(O)	O(PCOO)	C(CC[6a]HN)(PO3)(CHH)	114.4550	0.000	1	114.4550	0.000	1	114.6930	0.113	2	114.6930	0.113	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:2:1:	4:	4:4:4:	C-3:O-2:O-2:O-1:	P-4:	P-4:P-4:P-4:	P(CPP)(OC)2(O)	O(PCOO)	C(PC[6a]2Ni)2(PO3)	P(CPP)(OC)2(O)	O(PCOO)	C(PC[6a]2Ni)2(PO3)	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:2:3:1:	4:	4:3:4:	C[6a]-3:O-2:C-3:O-1:	P-4:	P-4:C-3:Si-4:	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	O(PC[6a]CO)	C(PC[6a]OO)(CC[6a]H)(SiC3)	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	O(PC[6a]CO)	C(PC[6a]OO)(CC[6a]H)(SiC3)	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:2:1:	4:	3:4:3:	C[6a]-3:C-3:O-2:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	O(PC[6a]CO)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	O(PC[6a]CO)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	114.1090	0.000	1	114.1090	0.000	1	114.6510	0.471	3	114.6510	0.471	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:2:1:	4:	3:4:3:	C[6a]-3:C-3:O-2:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	O(PC[6a]CO)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	O(PC[6a]CO)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	114.9220	0.709	2	114.9220	0.502	2	114.6510	0.471	3	114.6510	0.471	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:2:1:	4:	4:3:1:	C[6a]-3:C-3:C-2:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(CCH)(CC)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CC[6a]S)(H)	P(C[6a]C[6a]2)(CCH)(CC)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CC[6a]S)(H)	117.7100	0.068	2	117.7100	0.005	2	117.7100	0.005	2	117.7100	0.005	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:3:4:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6a]-3:C[5]-3:P-4:	P(C[6a]C[6a]2)2(CC[6a]C[5])(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC[6a]2O)	P(C[6a]C[6a]2)2(CC[6a]C[5])(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC[6a]2O)	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1	116.5810	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[5,6]-3:P-4:H-1:	P(C[6a]C[6a]2)2(CC[5,6]H)(O)	O(PC[6a]2C)	C(C[5,6]C[5,5,6]C[5,6,6])(PC[6a]2O)(H)	P(C[6a]C[6a]2)2(CC[5,6]H)(O)	O(PC[6a]2C)	C(C[5,6]C[5,5,6]C[5,6,6])(PC[6a]2O)(H)	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:2:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6]-3:P-4:C-2:	P(C[6a]C[6a]2)2(CC[6]C)(O)	O(PC[6a]2C)	C(C[6]C[6]2)(PC[6a]2O)(CC)	P(C[6a]C[6a]2)2(CC[6]C)(O)	O(PC[6a]2C)	C(C[6]C[6]2)(PC[6a]2O)(CC)	111.0343	0.104	3	111.0343	0.011	3	111.0343	0.011	3	112.1090	1.834	22	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:2:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6a]-3:P-4:C-2:	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	112.2787	1.384	19	112.2787	1.916	19	112.2787	1.916	19	112.1090	1.834	22	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	113.8040	0.000	1	113.8040	0.000	1	113.6787	1.086	16	113.6787	1.086	16	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	113.8173	0.831	12	113.8173	0.690	12	113.6787	1.086	16	113.6787	1.086	16	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	112.4180	2.178	2	112.4180	4.743	2	113.6787	1.086	16	113.6787	1.086	16	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6a]-3:P-4:C-3:	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	O(PC[6a]2C)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	114.4120	0.000	1	114.4120	0.000	1	113.6787	1.086	16	113.6787	1.086	16	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:4:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C-3:P-4:C-4:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(CC[5a]C[6a])(PC[6a]2O)(CHHN)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(CC[5a]C[6a])(PC[6a]2O)(CHHN)	112.0110	0.000	1	112.0110	0.000	1	112.0110	0.000	1	115.2563	8.020	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	3:4:4:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6]-3:P-4:P-4:	P(C[6a]C[6a]2)2(CC[6]P)(O)	O(PC[6a]2C)	C(C[6]C[6,6a]O[6])(PC[6a]2O)2	P(C[6a]C[6a]2)2(CC[6]P)(O)	O(PC[6a]2C)	C(C[6]C[6,6a]O[6])(PC[6a]2O)2	116.8790	0.491	2	116.8790	0.241	2	116.8790	0.241	2	115.2563	8.020	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:1:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:S-1:S-1:	P(C[6a]C[6a]2)2(CSS)(O)	O(PC[6a]2C)	C(PC[6a]2O)(S)2	P(C[6a]C[6a]2)2(CSS)(O)	O(PC[6a]2C)	C(PC[6a]2O)(S)2	115.3845	0.477	2	115.3845	0.228	2	115.3845	0.228	2	115.3845	0.228	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C-3:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(CCH)2(O)	O(PC[6a]CC)	C(PC[6a]CO)(CC[6a]H)(H)	P(C[6a]C[6a]2)(CCH)2(O)	O(PC[6a]CC)	C(PC[6a]CO)(CC[6a]H)(H)	113.3030	0.293	2	113.3030	0.086	2	113.3030	0.086	2	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:Br-1:	P(C[6a]C[6a]2)2(CBrC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCH)(Br)	P(C[6a]C[6a]2)2(CBrC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCH)(Br)	111.9070	0.000	1	111.9070	0.000	1	111.9070	0.000	1	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:Cl-1:	P(C[6a]C[6a]2)2(CClC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CClH)(Cl)	P(C[6a]C[6a]2)2(CClC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CClH)(Cl)	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCI)(H)	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCI)(H)	115.5810	0.000	1	115.5810	0.000	1	114.7140	3.898	5	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6]H)(H)	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6]H)(H)	113.6590	0.000	1	113.6590	0.000	1	114.7140	3.898	5	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]Te)(H)	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]Te)(H)	114.4030	0.000	1	114.4030	0.000	1	114.7140	3.898	5	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CHH)(H)	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CHH)(H)	112.3650	0.000	1	112.3650	0.000	1	114.7140	3.898	5	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CHP)(H)	117.5620	0.000	1	117.5620	0.000	1	114.7140	3.898	5	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:N-3:O-1:	P(C[6a]C[6a]2)2(CNO)(O)	O(PC[6a]2C)	C(PC[6a]2O)(NCH)(O)	P(C[6a]C[6a]2)2(CNO)(O)	O(PC[6a]2C)	C(PC[6a]2O)(NCH)(O)	110.0445	0.223	2	110.0445	0.050	2	110.0445	0.050	2	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:N-3:S-1:	P(C[6a]C[6a]2)2(CNS)(O)	O(PC[6a]2C)	C(PC[6a]2O)(NC[6a]H)(S)	P(C[6a]C[6a]2)2(CNS)(O)	O(PC[6a]2C)	C(PC[6a]2O)(NC[6a]H)(S)	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	112.7222	5.865	12	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:2:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:C-2:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]C)(CC)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]C)(CC)	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	111.4770	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:C-3:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCC)(CHH)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCC)(CHH)	110.9890	0.000	1	110.9890	0.000	1	112.5310	1.109	7	112.5310	1.109	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:C-3:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCH)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCH)(CCP)	112.8670	1.085	4	112.8670	1.177	4	112.5310	1.109	7	112.5310	1.109	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:C-3:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6]S)(CHH)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6]S)(CHH)	113.0020	0.000	1	113.0020	0.000	1	112.5310	1.109	7	112.5310	1.109	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:C-3:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]C)(CCO)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]C)(CCO)	112.2580	0.000	1	112.2580	0.000	1	112.5310	1.109	7	112.5310	1.109	7	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:3:4:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-3:C-4:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]H)(CHHO)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CC[6a]H)(CHHO)	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:4:1:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[5]-4:P-4:O-1:	P(C[6a]C[6a]2)2(CC[5]O)(O)	O(PC[6a]2C)	C(C[5]C[5]2Fe)(PC[6a]2O)(O)	P(C[6a]C[6a]2)2(CC[5]O)(O)	O(PC[6a]2C)	C(C[5]C[5]2Fe)(PC[6a]2O)(O)	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C-4:P-4:C-3:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(CC[6a]HP)(PC[6a]2O)(CHH)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(CC[6a]HP)(PC[6a]2O)(CHH)	111.3040	0.000	1	111.3040	0.000	1	111.3040	0.000	1	112.0918	2.567	4	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[3]-4:P-4:C-3:	P(C[6a]C[6a]2)2(CC[3]C)(O)	O(PC[6a]2C)	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	P(C[6a]C[6a]2)2(CC[3]C)(O)	O(PC[6a]2C)	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	112.0918	2.567	4	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	C[6]-4:P-4:C-3:	P(C[6a]C[6a]2)2(CC[6]C)(O)	O(PC[6a]2C)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	P(C[6a]C[6a]2)2(CC[6]C)(O)	O(PC[6a]2C)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	112.0918	2.567	4	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:4:3:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:C-4:C-3:	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCHH)(CCI)	P(C[6a]C[6a]2)2(CCC)(O)	O(PC[6a]2C)	C(PC[6a]2O)(CCHH)(CCI)	114.3830	0.000	1	114.3830	0.000	1	114.3830	0.000	1	112.0918	2.567	4	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:3:1:	4:	4:4:4:	C[6a]-3:C[6a]-3:C-3:O-1:	P-4:	P-4:P-4:P-4:	P(C[6a]C[6a]2)2(CPP)(O)	O(PC[6a]2C)	C(PC[6a]2O)(PC[6a]3)2	P(C[6a]C[6a]2)2(CPP)(O)	O(PC[6a]2C)	C(PC[6a]2O)(PC[6a]3)2	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	112.5110	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:3:4:1:	4:	3:4:1:	C-3:C-3:C-4:O-1:	P-4:	C[6a]-3:P-4:O-1:	P(CC[6a]O)2(CCHH)(O)	O(PC3)	C(C[6a]C[6a]2)(PCCO)(O)	P(CC[6a]O)2(CCHH)(O)	O(PC3)	C(C[6a]C[6a]2)(PCCO)(O)	118.3690	2.383	2	118.3690	5.678	2	118.3690	5.678	2	118.3690	5.678	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:4:3:1:	4:	4:2:1:	C[6a]-3:C[6]-4:C-3:O-1:	P-4:	P-4:C-2:H-1:	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	O(PC[6a]C[6]C)	C(PC[6a]C[6]O)(CC)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	O(PC[6a]C[6]C)	C(PC[6a]C[6]O)(CC)(H)	111.3750	0.033	2	111.3750	0.001	2	111.3750	0.001	2	111.3750	0.001	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:4:3:1:	4:	4:3:1:	C[6a]-3:C-4:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(CC3)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHH)(H)	P(C[6a]C[6a]2)(CC3)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHH)(H)	112.7550	0.000	1	112.7550	0.000	1	113.5089	0.390	10	113.5089	0.390	10	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:4:3:1:	4:	4:3:1:	C[6a]-3:C-4:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHH)(H)	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHH)(H)	113.2900	0.000	1	113.2900	0.000	1	113.5089	0.390	10	113.5089	0.390	10	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:4:3:1:	4:	4:3:1:	C[6a]-3:C-4:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(CH3)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHH)(H)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHH)(H)	113.4745	0.316	4	113.4745	0.100	4	113.5089	0.390	10	113.5089	0.390	10	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	3:4:3:1:	4:	4:3:1:	C[6a]-3:C-4:C-3:O-1:	P-4:	P-4:C-3:H-1:	P(C[6a]C[6a]2)(CH3)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHP)(H)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	O(PC[6a]CC)	C(PC[6a]CO)(CHP)(H)	113.7865	0.872	4	113.7865	0.761	4	113.5089	0.390	10	113.5089	0.390	10	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	4:3:1:1:	4:	4:3:1:	C-4:C-3:O-1:O-1:	P-4:	P-4:N-3:H-1:	P(CHHN)(CHN)(O)2	O(PCCO)	C(PCOO)(NNiH)(H)	P(CHHN)(CHN)(O)2	O(PCCO)	C(PCOO)(NNiH)(H)	108.1185	0.685	2	108.1185	0.469	2	108.1185	0.469	2	108.1185	0.469	2	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	4:3:1:1:	4:	4:3:4:	C[6]-4:C-3:H-1:O-1:	P-4:	P-4:C-3:C-4:	P(C[6]C[6]2H)(CCC)(H)(O)	O(PC[6]CH)	C(PC[6]HO)(CC[6a]H)(CC3)	P(C[6]C[6]2H)(CCC)(H)(O)	O(PC[6]CH)	C(PC[6]HO)(CC[6a]H)(CC3)	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	114.9440	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	4:3:3:1:	4:	4:3:4:	C[6]-4:P-3:C-3:O-1:	P-4:	P-4:C-3:C-4:	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	O(PC[6]CP)	C(PC[6]OP)(CC[6a]H)(CC3)	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	O(PC[6]CP)	C(PC[6]OP)(CC[6a]H)(CC3)	112.1157	0.663	3	112.1157	0.440	3	112.1157	0.440	3	112.1157	0.440	3	112.9484	8.088	145	112.9484	8.088	145
992	863	930	0:SP3_SP2_SP2	P	O	C	4:4:3:1:	4:	4:2:1:	C-4:C-4:C-3:O-1:	P-4:	P-4:S-2:S-1:	P(CC3)2(CSS)(O)	O(PC3)	C(PCCO)(SC)(S)	P(CC3)2(CSS)(O)	O(PC3)	C(PCCO)(SC)(S)	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	109.3020	0.000	1	112.9484	8.088	145	112.9484	8.088	145
992	863	940	0:SP3_SP-NON_SP2	P	O	P	3:2:1:1:	4:	3:4:	C[6a]-3:P-2:H-1:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)(PC[6a])(H)(O)	O(PC[6a]HP)	P(C[6a]C[6a]2)(PC[6a]HO)	P(C[6a]C[6a]2)(PC[6a])(H)(O)	O(PC[6a]HP)	P(C[6a]C[6a]2)(PC[6a]HO)	121.2105	0.427	4	121.2105	0.183	4	121.2105	0.183	4	121.2105	0.183	4	121.2105	0.183	4	121.2105	0.183	4
992	863	941	0:SP3_SP2_SP2	P	O	N	2:1:1:1:	4:	4:2:	N-2:F-1:F-1:O-1:	P-4:	P-4:C-2:	P(NC)(F)2(O)	O(PFFN)	N(PFFO)(CO)	P(NC)(F)2(O)	O(PFFN)	N(PFFO)(CO)	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	120.0317	0.011	3	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:1:1:1:	4:	4:2:	N-2:F-1:F-1:O-1:	P-4:	P-4:N-2:	P(NN)(F)2(O)	O(PFFN)	N(PFFO)(NN)	P(NN)(F)2(O)	O(PFFN)	N(PFFO)(NN)	120.0925	0.008	2	120.0925	0.000	2	120.0925	0.000	2	120.0317	0.011	3	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	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)	O(PCl2N)	N(PCl2N)(PCl2O)	P(NP)(Cl)2(O)	O(PCl2N)	N(PCl2N)(PCl2O)	122.0340	0.000	1	122.0340	0.000	1	122.0340	0.000	1	122.0340	0.000	1	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	3:4:	N-2:N-2:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a])2(NC)(O)	O(PN3)	N(C[6a]C[6a]2)(PNNO)	P(NC[6a])2(NC)(O)	O(PN3)	N(C[6a]C[6a]2)(PNNO)	117.0090	1.800	2	117.0090	3.241	2	117.0090	3.241	2	114.2907	33.512	6	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	3:4:	N-2:N-2:O-2:O-1:	P-4:	C[6]-3:P-4:	P(NC[6])2(OZn)(O)	O(PNNO)	N(C[6]C[6]N[6])(PNOO)	P(NC[6])2(OZn)(O)	O(PNNO)	N(C[6]C[6]N[6])(PNOO)	107.1225	1.150	2	107.1225	1.324	2	107.1225	1.324	2	114.2907	33.512	6	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	3:4:	N-2:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:	P(NC[6a])(OC[6a])2(O)	O(PNOO)	N(C[6a]C[6a]2)(PO3)	P(NC[6a])(OC[6a])2(O)	O(PNOO)	N(C[6a]C[6a]2)(PO3)	117.0300	0.000	1	117.0300	0.000	1	117.0300	0.000	1	114.2907	33.512	6	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	3:4:	O-2:O-2:N-2:O-1:	P-4:	C[5]-3:P-4:	P(OC[6a])2(NC[5])(O)	O(PNOO)	N(C[5]C[3,5]N[5])(PO3)	P(OC[6a])2(NC[5])(O)	O(PNOO)	N(C[5]C[3,5]N[5])(PO3)	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	114.2907	33.512	6	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:2:	N-2:N-2:N-2:O-1:	P-4:	P-4:N-2:	P(NN)3(O)	O(PN3)	N(PNNO)(NN)	P(NN)3(O)	O(PN3)	N(PNNO)(NN)	116.5167	1.150	3	116.5167	1.322	3	116.5167	1.322	3	116.5167	1.322	3	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:3:	N-2:N-2:N-2:O-1:	P-4:	P-4:C-3:	P(NC[6a])2(NC)(O)	O(PN3)	N(PNNO)(CCO)	P(NC[6a])2(NC)(O)	O(PN3)	N(PNNO)(CCO)	104.6410	0.000	1	104.6410	0.000	1	104.6410	0.000	1	104.6410	0.000	1	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	C-4:P-4:	P(NC)(OC)2(O)	O(PNOO)	N(CCCH)(PO3)	P(NC)(OC)2(O)	O(PNOO)	N(CCCH)(PO3)	111.5810	0.000	1	111.5810	0.000	1	111.5810	0.000	1	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	P-4:P-4:	P(NP)(OC)2(O)	O(PNOO)	N(PC[6a]2C)(PO3)	P(NP)(OC)2(O)	O(PNOO)	N(PC[6a]2C)(PO3)	116.6230	0.000	1	116.6230	0.000	1	116.6230	0.000	1	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	N-2:O-2:O-2:O-1:	P-4:	S-4:P-4:	P(NS)(OC)2(O)	O(PNOO)	N(SC[6a]OO)(PO3)	P(NS)(OC)2(O)	O(PNOO)	N(SC[6a]OO)(PO3)	120.1180	0.000	1	120.1180	0.000	1	120.1180	0.000	1	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	O-2:O-2:N-2:O-1:	P-4:	C-4:P-4:	P(OC[6a])2(NC)(O)	O(PNOO)	N(CCCH)(PO3)	P(OC[6a])2(NC)(O)	O(PNOO)	N(CCCH)(PO3)	115.7875	0.952	2	115.7875	0.907	2	115.7875	0.907	2	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	O-2:O-2:N-2:O-1:	P-4:	C[6]-4:P-4:	P(OC[6a])2(NC[6])(O)	O(PNOO)	N(C[6]C[6]2H)(PO3)	P(OC[6a])2(NC[6])(O)	O(PNOO)	N(C[6]C[6]2H)(PO3)	116.2440	0.000	1	116.2440	0.000	1	116.2440	0.000	1	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	O-2:O-2:N-2:O-1:	P-4:	P-4:P-4:	P(OC[6a])2(NP)(O)	O(PNOO)	N(PC[5a]C[6a]2)(PO3)	P(OC[6a])2(NP)(O)	O(PNOO)	N(PC[5a]C[6a]2)(PO3)	120.8720	0.000	1	120.8720	0.000	1	118.0585	18.920	6	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	O-2:O-2:N-2:O-1:	P-4:	P-4:P-4:	P(OC[6a])2(NP)(O)	O(PNOO)	N(PC[6a]2C)(PO3)	P(OC[6a])2(NP)(O)	O(PNOO)	N(PC[6a]2C)(PO3)	119.7023	3.199	3	119.7023	10.231	3	118.0585	18.920	6	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	O-2:O-2:N-2:O-1:	P-4:	P-4:P-4:	P(OC[6a])2(NP)(O)	O(PNOO)	N(PC[6a]2S)(PO3)	P(OC[6a])2(NP)(O)	O(PNOO)	N(PC[6a]2S)(PO3)	110.4360	0.000	1	110.4360	0.000	1	118.0585	18.920	6	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:2:1:	4:	4:4:	O-2:O-2:N-2:O-1:	P-4:	P-4:P-4:	P(OC[6a])2(NP)(O)	O(PNOO)	N(PO3)2	P(OC[6a])2(NP)(O)	O(PNOO)	N(PO3)2	117.9360	0.000	1	117.9360	0.000	1	118.0585	18.920	6	117.0410	13.177	12	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	2:2:3:1:	4:	4:4:	N-2:N-2:N-3:O-1:	P-4:	C[6]-4:P-4:	P(NC[6])2(NCH)(O)	O(PN3)	N(C[6]C[6]2H)(PNNO)	P(NC[6])2(NCH)(O)	O(PN3)	N(C[6]C[6]2H)(PNNO)	116.4070	1.073	2	116.4070	1.152	2	116.4070	1.152	2	116.4070	1.152	2	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:2:2:1:	4:	4:4:	N-3:N-2:N-2:O-1:	P-4:	P-4:C-4:	P(NCH)(NC)2(O)	O(PN3)	N(PNNO)(CC3)	P(NCH)(NC)2(O)	O(PN3)	N(PNNO)(CC3)	114.8885	2.095	2	114.8885	4.390	2	114.8885	4.390	2	114.5923	2.458	3	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:2:2:1:	4:	4:4:	N-3:O-2:N-2:O-1:	P-4:	C-4:P-4:	P(NC[6a]H)(OC[6a])(NC)(O)	O(PNNO)	N(CC[6a]HH)(PNOO)	P(NC[6a]H)(OC[6a])(NC)(O)	O(PNNO)	N(CC[6a]HH)(PNOO)	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	114.5923	2.458	3	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	3:4:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	C[6a]-3:P-4:	P(C[6a]C[6a]2)2(NC[6a])(O)	O(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC[6a])(O)	O(PC[6a]2N)	N(C[6a]C[6a]2)(PC[6a]2O)	118.1135	0.402	2	118.1135	0.162	2	118.1135	0.162	2	118.1135	0.162	2	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:3:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	P-4:C-3:	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(PC[6a]2O)(CC[6a]C)	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(PC[6a]2O)(CC[6a]C)	119.7577	2.687	3	119.7577	7.222	3	119.7577	7.222	3	115.9278	44.062	5	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:3:	N-3:N-3:N-2:O-1:	P-4:	P-4:C-3:	P(NCC)2(NC)(O)	O(PN3)	N(PNNO)(CCO)	P(NCC)2(NC)(O)	O(PN3)	N(PNNO)(CCO)	105.0940	0.000	1	105.0940	0.000	1	110.1830	51.796	2	115.9278	44.062	5	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:3:	N-3:N-3:N-2:O-1:	P-4:	P-4:C-3:	P(NC[6]C)2(NC)(O)	O(PN3)	N(PNNO)(CCO)	P(NC[6]C)2(NC)(O)	O(PN3)	N(PNNO)(CCO)	115.2720	0.000	1	115.2720	0.000	1	110.1830	51.796	2	115.9278	44.062	5	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	C[6a]-3:C[6]-3:N-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	O(PC[6a]C[6]N)	N(PC[6a]C[6]O)(CC[6a]CH)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)(O)	O(PC[6a]C[6]N)	N(PC[6a]C[6]O)(CC[6a]CH)	118.2830	0.160	2	118.2830	0.026	2	118.2830	0.026	2	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	C-4:P-4:	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(CC[6a]CH)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(CC[6a]CH)(PC[6a]2O)	112.2392	4.211	4	112.2392	17.732	4	113.3526	19.497	5	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	C-4:P-4:	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(CC[6a]C[3]C)(PC[6a]2O)	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(CC[6a]C[3]C)(PC[6a]2O)	117.8060	0.000	1	117.8060	0.000	1	113.3526	19.497	5	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	P-4:C-4:	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(PC[6a]2O)(CCCH)	P(C[6a]C[6a]2)2(NC)(O)	O(PC[6a]2N)	N(PC[6a]2O)(CCCH)	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(O)	O(PC[6a]2N)	N(PC[6a]2O)(PC[6a]3)	P(C[6a]C[6a]2)2(NP)(O)	O(PC[6a]2N)	N(PC[6a]2O)(PC[6a]3)	119.9970	0.000	1	119.9970	0.000	1	120.3673	0.547	3	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	C[6a]-3:C[6a]-3:N-2:O-1:	P-4:	P-4:P-4:	P(C[6a]C[6a]2)2(NP)(O)	O(PC[6a]2N)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(NP)(O)	O(PC[6a]2N)	N(PC[6a]2O)2	120.5525	0.943	2	120.5525	0.888	2	120.3673	0.547	3	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	N-3:N-3:N-2:O-1:	P-4:	P-4:C-4:	P(NCH)2(NC)(O)	O(PN3)	N(PNNO)(CH3)	P(NCH)2(NC)(O)	O(PN3)	N(PNNO)(CH3)	108.6470	0.000	1	108.6470	0.000	1	108.6470	0.000	1	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	3:3:2:1:	4:	4:4:	N-3:N-3:N-2:O-1:	P-4:	S-4:P-4:	P(NC[6]C)2(NS)(O)	O(PN3)	N(SC[6a]OO)(PNNO)	P(NC[6]C)2(NS)(O)	O(PN3)	N(SC[6a]OO)(PNNO)	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	115.6726	20.947	13	115.7291	21.795	55	115.7291	21.795	55
992	863	941	0:SP3_SP2_SP2	P	O	N	4:3:2:1:	4:	4:4:	C-4:N-3:N-2:O-1:	P-4:	C-4:P-4:	P(CC3)(NCH)(NC)(O)	O(PCNN)	N(CCCH)(PCNO)	P(CC3)(NCH)(NC)(O)	O(PCNN)	N(CCCH)(PCNO)	110.5853	4.184	4	110.5853	17.503	4	110.5853	17.503	4	110.5853	17.503	4	115.7291	21.795	55	115.7291	21.795	55
992	863	945	0:SP3_SP2_SP3	P	O	P	3:2:2:1:	4:	3:4:1:	P-3:O-2:O-2:O-1:	P-4:	C[6a]-3:P-4:H-1:	P(PC[6a]H)(OC)2(O)	O(POOP)	P(C[6a]C[6a]2)(PO3)(H)	P(PC[6a]H)(OC)2(O)	O(POOP)	P(C[6a]C[6a]2)(PO3)(H)	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	115.2538	5.646	6	115.2538	5.646	6
992	863	945	0:SP3_SP2_SP3	P	O	P	3:3:1:1:	4:	3:4:1:	C[6a]-3:P-3:H-1:O-1:	P-4:	C[6a]-3:P-4:H-1:	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	O(PC[6a]HP)	P(C[6a]C[6a]2)(PC[6a]HO)(H)	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	O(PC[6a]HP)	P(C[6a]C[6a]2)(PC[6a]HO)(H)	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	117.7210	0.000	1	115.2538	5.646	6	115.2538	5.646	6
992	863	945	0:SP3_SP2_SP3	P	O	P	3:3:3:1:	4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:O-1:	P-4:	C[6a]-3:C[6a]-3:P-4:	P(C[6a]C[6a]2)2(PC[6a]2)(O)	O(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2O)	P(C[6a]C[6a]2)2(PC[6a]2)(O)	O(PC[6a]2P)	P(C[6a]C[6a]2)2(PC[6a]2O)	115.9670	0.000	1	115.9670	0.000	1	115.9670	0.000	1	115.9670	0.000	1	115.2538	5.646	6	115.2538	5.646	6
992	863	945	0:SP3_SP2_SP3	P	O	P	4:3:3:1:	4:	4:4:3:	C[6]-4:P-3:C-3:O-1:	P-4:	C[6]-4:P-4:C-3:	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	O(PC[6]CP)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	O(PC[6]CP)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	113.8313	2.681	3	113.8313	7.190	3	113.8313	7.190	3	113.8313	7.190	3	115.2538	5.646	6	115.2538	5.646	6
992	863	951	0:SP3_SP-NON_SP2	P	O	H	1:1:1:1:	4:	4:	H-1:H-1:O-1:O-1:	P-4:	P-4:	P(H)2(O)2	O(PHHO)	H(PHOO)	P(H)2(O)2	O(PHHO)	H(PHOO)	109.4231	1.040	8	109.4231	1.082	8	109.4231	1.082	8	107.3077	3.599	31	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	1:1:1:1:	4:	4:	H-1:O-1:O-1:O-1:	P-4:	P-4:	P(H)(O)3	O(PHOO)	H(PO3)	P(H)(O)3	O(PHOO)	H(PO3)	106.5719	1.540	23	106.5719	2.371	23	106.5719	2.371	23	107.3077	3.599	31	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	2:1:1:1:	4:	4:	O-2:H-1:O-1:O-1:	P-4:	P-4:	P(OC)(H)(O)2	O(PHOO)	H(PO3)	P(OC)(H)(O)2	O(PHOO)	H(PO3)	108.6860	1.266	2	108.6860	1.602	2	108.3405	3.321	62	108.3405	3.321	62	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	2:1:1:1:	4:	4:	O-2:H-1:O-1:O-1:	P-4:	P-4:	P(OC[6a])(H)(O)2	O(PHOO)	H(PO3)	P(OC[6a])(H)(O)2	O(PHOO)	H(PO3)	110.2230	5.586	2	110.2230	31.205	2	108.3405	3.321	62	108.3405	3.321	62	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	2:1:1:1:	4:	4:	O-2:H-1:O-1:O-1:	P-4:	P-4:	P(OH)(H)(O)2	O(PHOO)	H(PO3)	P(OH)(H)(O)2	O(PHOO)	H(PO3)	108.2636	1.686	58	108.2636	2.843	58	108.3405	3.321	62	108.3405	3.321	62	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:O-1:	P-4:	P-4:	P(OC[6a])(OH)(H)(O)	O(PHOO)	H(PO3)	P(OC[6a])(OH)(H)(O)	O(PHOO)	H(PO3)	112.5470	0.000	1	112.5470	0.000	1	109.6850	16.382	2	109.6850	16.382	2	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	2:2:1:1:	4:	4:	O-2:O-2:H-1:O-1:	P-4:	P-4:	P(OZn)2(H)(O)	O(PHOO)	H(PO3)	P(OZn)2(H)(O)	O(PHOO)	H(PO3)	106.8230	0.000	1	106.8230	0.000	1	109.6850	16.382	2	109.6850	16.382	2	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	2:4:1:1:	4:	4:	O-2:C-4:H-1:O-1:	P-4:	P-4:	P(OC[6a])(CC3)(H)(O)	O(PCHO)	H(PCOO)	P(OC[6a])(CC3)(H)(O)	O(PCHO)	H(PCOO)	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:1:1:1:	4:	4:	C[6a]-3:H-1:O-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(H)(O)2	O(PC[6a]HO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(H)(O)2	O(PC[6a]HO)	H(PC[6a]OO)	107.5100	2.857	2	107.5100	8.161	2	107.5100	8.161	2	107.5100	8.161	2	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:2:1:1:	4:	4:	C[6a]-3:O-2:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(OH)(H)(O)	O(PC[6a]HO)	H(PC[6a]OO)	P(C[6a]C[6a]2)(OH)(H)(O)	O(PC[6a]HO)	H(PC[6a]OO)	115.1765	5.853	2	115.1765	34.254	2	115.1765	34.254	2	111.0188	20.219	6	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:2:1:1:	4:	4:	C[6a]-3:P-2:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a])(H)(O)	O(PC[6a]HP)	H(PC[6a]OP)	P(C[6a]C[6a]2)(PC[6a])(H)(O)	O(PC[6a]HP)	H(PC[6a]OP)	108.9400	2.235	4	108.9400	4.995	4	108.9400	4.995	4	111.0188	20.219	6	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:3:1:1:	4:	4:	C[6a]-3:C[6a]-3:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)2(H)(O)	O(PC[6a]2H)	H(PC[6a]2O)	P(C[6a]C[6a]2)2(H)(O)	O(PC[6a]2H)	H(PC[6a]2O)	114.8162	1.260	4	114.8162	1.588	4	114.8162	1.588	4	114.6168	1.390	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:3:1:1:	4:	4:	C[6a]-3:P-3:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	O(PC[6a]HP)	H(PC[6a]OP)	P(C[6a]C[6a]2)(PC[6a]H)(H)(O)	O(PC[6a]HP)	H(PC[6a]OP)	113.8190	0.000	1	113.8190	0.000	1	113.8190	0.000	1	114.6168	1.390	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:O-1:	P-4:	P-4:	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	O(PC[5a]CH)	H(PC[5a]CO)	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	O(PC[5a]CH)	H(PC[5a]CO)	117.1970	0.000	1	117.1970	0.000	1	115.8230	1.417	3	112.0024	12.531	10	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:O-1:	P-4:	P-4:	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	O(PC[5a]CH)	H(PC[5a]CO)	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	O(PC[5a]CH)	H(PC[5a]CO)	115.1040	0.000	1	115.1040	0.000	1	115.8230	1.417	3	112.0024	12.531	10	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:4:1:1:	4:	4:	C[5a]-3:C-4:H-1:O-1:	P-4:	P-4:	P(C[5a]N[5a]2)(CC3)(H)(O)	O(PC[5a]CH)	H(PC[5a]CO)	P(C[5a]N[5a]2)(CC3)(H)(O)	O(PC[5a]CH)	H(PC[5a]CO)	115.1680	0.000	1	115.1680	0.000	1	115.8230	1.417	3	112.0024	12.531	10	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(CCHH)(H)(O)	O(PC[6a]CH)	H(PC[6a]CO)	P(C[6a]C[6a]2)(CCHH)(H)(O)	O(PC[6a]CH)	H(PC[6a]CO)	108.0835	0.012	2	108.0835	0.000	2	107.7253	0.385	3	112.0024	12.531	10	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:4:1:1:	4:	4:	C[6a]-3:C-4:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	O(PC[6a]CH)	H(PC[6a]CO)	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	O(PC[6a]CH)	H(PC[6a]CO)	107.0090	0.000	1	107.0090	0.000	1	107.7253	0.385	3	112.0024	12.531	10	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	3:4:1:1:	4:	4:	C[6a]-3:C[6]-4:H-1:O-1:	P-4:	P-4:	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	O(PC[6a]C[6]H)	H(PC[6a]C[6]O)	P(C[6a]C[6a]2)(C[6]C[6]2H)(H)(O)	O(PC[6a]C[6]H)	H(PC[6a]C[6]O)	112.3448	1.829	4	112.3448	3.344	4	112.3448	3.344	4	112.0024	12.531	10	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CCHH)(H)(O)2	O(PCHO)	H(PCOO)	P(CCHH)(H)(O)2	O(PCHO)	H(PCOO)	108.2575	8.557	2	108.2575	73.217	2	109.0517	7.055	36	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CCHN)(H)(O)2	O(PCHO)	H(PCOO)	P(CCHN)(H)(O)2	O(PCHO)	H(PCOO)	108.9815	1.427	6	108.9815	2.036	6	109.0517	7.055	36	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CC[6a]HO)(H)(O)2	O(PCHO)	H(PCOO)	P(CC[6a]HO)(H)(O)2	O(PCHO)	H(PCOO)	109.9180	4.193	2	109.9180	17.582	2	109.0517	7.055	36	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CHHN)(H)(O)2	O(PCHO)	H(PCOO)	P(CHHN)(H)(O)2	O(PCHO)	H(PCOO)	109.1840	2.538	22	109.1840	6.441	22	109.0517	7.055	36	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CN[5]HH)(H)(O)2	O(PCHO)	H(PCOO)	P(CN[5]HH)(H)(O)2	O(PCHO)	H(PCOO)	108.8635	0.482	2	108.8635	0.232	2	109.0517	7.055	36	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C-4:H-1:O-1:O-1:	P-4:	P-4:	P(CN[6]HH)(H)(O)2	O(PCHO)	H(PCOO)	P(CN[6]HH)(H)(O)2	O(PCHO)	H(PCOO)	107.9240	2.158	2	107.9240	4.657	2	109.0517	7.055	36	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:1:1:1:	4:	4:	C[5]-4:H-1:O-1:O-1:	P-4:	P-4:	P(C[5]C[5]2Fe)(H)(O)2	O(PC[5]HO)	H(PC[5]OO)	P(C[5]C[5]2Fe)(H)(O)2	O(PC[5]HO)	H(PC[5]OO)	107.7090	1.860	2	107.7090	3.458	2	107.7090	3.458	2	108.9811	6.859	38	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:O-1:	P-4:	P-4:	P(CCHH)(OH)(H)(O)	O(PCHO)	H(PCOO)	P(CCHH)(OH)(H)(O)	O(PCHO)	H(PCOO)	112.8740	0.000	1	112.8740	0.000	1	110.7070	3.844	5	110.7070	3.844	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:O-1:	P-4:	P-4:	P(CC[6a]CN)(OC)(H)(O)	O(PCHO)	H(PCOO)	P(CC[6a]CN)(OC)(H)(O)	O(PCHO)	H(PCOO)	108.5570	0.000	1	108.5570	0.000	1	110.7070	3.844	5	110.7070	3.844	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:O-1:	P-4:	P-4:	P(CHHN)(OH)(H)(O)	O(PCHO)	H(PCOO)	P(CHHN)(OH)(H)(O)	O(PCHO)	H(PCOO)	111.4445	1.657	2	111.4445	2.745	2	110.7070	3.844	5	110.7070	3.844	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:2:1:1:	4:	4:	C-4:O-2:H-1:O-1:	P-4:	P-4:	P(CHHP)(OH)(H)(O)	O(PCHO)	H(PCOO)	P(CHHP)(OH)(H)(O)	O(PCHO)	H(PCOO)	109.2150	0.000	1	109.2150	0.000	1	110.7070	3.844	5	110.7070	3.844	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:3:1:1:	4:	4:	C[6]-4:C-3:H-1:O-1:	P-4:	P-4:	P(C[6]C[6]2H)(CCC)(H)(O)	O(PC[6]CH)	H(PC[6]CO)	P(C[6]C[6]2H)(CCC)(H)(O)	O(PC[6]CH)	H(PC[6]CO)	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	111.9860	0.000	1	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:O-1:	P-4:	P-4:	P(CC3)2(H)(O)	O(PCCH)	H(PCCO)	P(CC3)2(H)(O)	O(PCCH)	H(PCCO)	105.0240	0.000	1	105.0240	0.000	1	107.5950	13.220	2	111.4826	17.268	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:4:1:1:	4:	4:	C-4:C-4:H-1:O-1:	P-4:	P-4:	P(CC[6a]HH)2(H)(O)	O(PCCH)	H(PCCO)	P(CC[6a]HH)2(H)(O)	O(PCCH)	H(PCCO)	110.1660	0.000	1	110.1660	0.000	1	107.5950	13.220	2	111.4826	17.268	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:4:1:1:	4:	4:	C[5]-4:C-4:H-1:O-1:	P-4:	P-4:	P(C[5]C[5]2Fe)(CC3)(H)(O)	O(PC[5]CH)	H(PC[5]CO)	P(C[5]C[5]2Fe)(CC3)(H)(O)	O(PC[5]CH)	H(PC[5]CO)	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	111.4826	17.268	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:O-1:	P-4:	P-4:	P(C[6]C[6]2H)(CCCH)(H)(O)	O(PC[6]CH)	H(PC[6]CO)	P(C[6]C[6]2H)(CCCH)(H)(O)	O(PC[6]CH)	H(PC[6]CO)	112.2210	0.000	1	112.2210	0.000	1	113.4110	2.832	2	111.4826	17.268	5	109.0149	8.124	168	109.0149	8.124	168
992	863	951	0:SP3_SP-NON_SP2	P	O	H	4:4:1:1:	4:	4:	C[6]-4:C-4:H-1:O-1:	P-4:	P-4:	P(C[6]C[6]2H)(CC[6a]HH)(H)(O)	O(PC[6]CH)	H(PC[6]CO)	P(C[6]C[6]2H)(CC[6a]HH)(H)(O)	O(PC[6]CH)	H(PC[6]CO)	114.6010	0.000	1	114.6010	0.000	1	113.4110	2.832	2	111.4826	17.268	5	109.0149	8.124	168	109.0149	8.124	168