849	893	941	0:SP3_SP2_SP3	P[6]	O	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(OC)	O(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2O)(CC3)	P[6](N[6]P[6])2(NC)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2O)(CC3)	100.8100	0.000	1	100.8100	0.000	1	105.5220	44.406	2	104.5213	25.207	3	104.5213	25.207	3	104.5213	25.207	3
849	893	941	0:SP3_SP2_SP3	P[6]	O	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(OC)	O(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2O)(CCHH)	P[6](N[6]P[6])2(NC)(OC){3|Cl<1>,1|N<2>,1|O<2>}	O(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2O)(CCHH)	110.2340	0.000	1	110.2340	0.000	1	105.5220	44.406	2	104.5213	25.207	3	104.5213	25.207	3	104.5213	25.207	3
849	893	941	0:SP3_SP2_SP3	P[6]	O	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(OP[6])(NC)	O(P[6]N[6]2N)2	N(P[6]N[6]2O)(CCCH)	P[6](N[6]P[6])2(OP[6])(NC){4|Cl<1>,1|N<2>}	O(P[6]N[6]2N)2	N(P[6]N[6]2O)(CCCH)	102.5200	0.000	1	102.5200	0.000	1	102.5200	0.000	1	104.5213	25.207	3	104.5213	25.207	3	104.5213	25.207	3
849	893	956	0:SP3_SP2_SP3	P[6]	O	N	2:2:2:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:O-2:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(OP[6])(NCH)	O(P[6]N[6]2N)2	N(P[6]N[6]2O)(CCCH)(H)	P[6](N[6]P[6])2(OP[6])(NCH){4|Cl<1>,1|N<2>}	O(P[6]N[6]2N)2	N(P[6]N[6]2O)(CCCH)(H)	105.5480	0.000	1	105.5480	0.000	1	105.5480	0.000	1	105.5480	0.000	1	104.3912	10.137	10	104.3912	10.137	10
849	893	956	0:SP3_SP2_SP3	P[6]	O	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:C-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OC)	O(P[6]N[6]2N)(CCHH)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(P[6]N[6]2N)(CCHH)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	103.7715	3.077	2	103.0453	6.315	3	103.0453	6.315	3	103.5306	5.133	7	104.3912	10.137	10	104.3912	10.137	10
849	893	956	0:SP3_SP2_SP3	P[6]	O	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:C-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OC)	O(P[6]N[6]2N)(CCHH)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,2|C<3>,2|O<2>}	O(P[6]N[6]2N)(CCHH)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	101.5930	0.000	1	103.0453	6.315	3	103.0453	6.315	3	103.5306	5.133	7	104.3912	10.137	10	104.3912	10.137	10
849	893	956	0:SP3_SP2_SP3	P[6]	O	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OP[6])	O(P[6]N[6]2N)2	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OP[6]){4|Cl<1>,1|N<2>}	O(P[6]N[6]2N)2	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	103.8945	2.376	4	103.8945	5.644	4	103.8945	5.644	4	103.5306	5.133	7	104.3912	10.137	10	104.3912	10.137	10
849	893	956	0:SP3_SP2_SP3	P[6]	O	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:C-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(OC)	O(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2O)(CC3)(H)	P[6](N[6]P[6])2(NCH)(OC){1|O<2>,2|C<3>,2|N<2>}	O(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2O)(CC3)(H)	102.2390	0.000	1	102.2390	0.000	1	106.8250	42.063	2	106.8250	42.063	2	104.3912	10.137	10	104.3912	10.137	10
849	893	956	0:SP3_SP2_SP3	P[6]	O	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:C-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(OC)	O(P[6]N[6]2N)(CH3)	N(P[6]N[6]2O)(CCHH)(H)	P[6](N[6]P[6])2(NCH)(OC){3|Cl<1>,1|N<2>,1|O<2>}	O(P[6]N[6]2N)(CH3)	N(P[6]N[6]2O)(CCHH)(H)	111.4110	0.000	1	111.4110	0.000	1	106.8250	42.063	2	106.8250	42.063	2	104.3912	10.137	10	104.3912	10.137	10
849	893	977	0:SP3_SP-NON_SP2	P[6]	O	S	2:2:2:1:	3:4:	4:	O[6]-2:O[6]-2:O-2:S-1:	C[6a]-3:P[6]-4:	P[6]-4:	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S)	O(C[6a]C[6a]2)(P[6]O[6]2S)	S(P[6]O[6]2O)	P[6](O[6]C[6,6a])(O[6]C[6])(OC[6a])(S){1|C<4>,1|H<1>,2|C<3>}	O(C[6a]C[6a]2)(P[6]O[6]2S)	S(P[6]O[6]2O)	116.5570	0.000	1	116.5570	0.000	1	117.2450	0.947	2	117.2450	0.947	2	115.7807	2.608	6	115.7807	2.608	6
849	893	977	0:SP3_SP-NON_SP2	P[6]	O	S	2:2:2:1:	3:4:	4:	O[6]-2:O[6]-2:O-2:S-1:	C[6a]-3:P[6]-4:	P[6]-4:	P[6](O[6]C[6])2(OC[6a])(S)	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	S(P[6]O[6]2O)	P[6](O[6]C[6])2(OC[6a])(S){1|C<4>,4|H<1>}	O(C[6a]C[6a]N[6a])(P[6]O[6]2S)	S(P[6]O[6]2O)	117.9330	0.000	1	117.9330	0.000	1	117.2450	0.947	2	117.2450	0.947	2	115.7807	2.608	6	115.7807	2.608	6
849	893	977	0:SP3_SP-NON_SP2	P[6]	O	S	3:3:2:1:	3:4:	4:	N[6]-3:N[6]-3:O-2:S-1:	C[6a]-3:P[6]-4:	P[6]-4:	P[6](N[6]P[6]C)2(OC[6a])(S)	O(C[6a]C[6a]2)(P[6]N[6]2S)	S(P[6]N[6]2O)	P[6](N[6]P[6]C)2(OC[6a])(S){1|N<3>,2|O<2>,2|S<1>}	O(C[6a]C[6a]2)(P[6]N[6]2S)	S(P[6]N[6]2O)	116.0365	0.556	2	116.0365	0.310	2	116.0365	0.310	2	116.0365	0.310	2	115.7807	2.608	6	115.7807	2.608	6
849	893	977	0:SP3_SP-NON_SP2	P[6]	O	S	3:3:2:1:	4:3:	4:	N[6,6]-3:N[6,6]-3:O-2:S-1:	P[6]-4:C[6a]-3:	P[6]-4:	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S)	O(P[6]N[6,6]2S)(C[6a]C[6a]2)	S(P[6]N[6,6]2O)	P[6](N[6,6]N[6,6]C[6])2(OC[6a])(S){1|C<3>,4|C<4>,4|H<1>}	O(P[6]N[6,6]2S)(C[6a]C[6a]2)	S(P[6]N[6,6]2O)	114.9110	0.000	1	114.9110	0.000	1	114.9110	0.000	1	114.0605	1.447	2	115.7807	2.608	6	115.7807	2.608	6
849	893	977	0:SP3_SP-NON_SP2	P[6]	O	S	3:3:2:1:	4:3:	4:	N[6]-3:N[6]-3:O-2:S-1:	P[6]-4:C[6]-3:	P[6]-4:	P[6](N[6]P[6]C)2(OC[6])(S)	O(P[6]N[6]2S)(C[6]C[6]2)	S(P[6]N[6]2O)	P[6](N[6]P[6]C)2(OC[6])(S){1|N<3>,2|O<2>,2|S<1>}	O(P[6]N[6]2S)(C[6]C[6]2)	S(P[6]N[6]2O)	113.2100	0.000	1	113.2100	0.000	1	113.2100	0.000	1	114.0605	1.447	2	115.7807	2.608	6	115.7807	2.608	6
849	909	909	0:SP3_SP2_SP2	P[6]	S	S	2:2:2:2:	3:4:	3:4:	N[6]-2:N[6]-2:S-2:S-2:	C[6a]-3:P[6]-4:	C[6a]-3:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	S(C[6a]C[6a]2)(P[6]N[6]2S)	S(C[6a]C[6a]2)(P[6]N[6]2S)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<2>,2|N<3>,2|O<2>}	S(C[6a]C[6a]2)(P[6]N[6]2S)	S(C[6a]C[6a]2)(P[6]N[6]2S)	97.3376	0.017	3	97.3693	0.002	5	97.3693	0.002	5	97.3693	0.002	5	97.3693	0.002	5	97.3693	0.002	5
849	909	909	0:SP3_SP2_SP2	P[6]	S	S	2:2:2:2:	3:4:	3:4:	N[6]-2:N[6]-2:S-2:S-2:	C[6a]-3:P[6]-4:	C[6a]-3:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	S(C[6a]C[6a]2)(P[6]N[6]2S)	S(C[6a]C[6a]2)(P[6]N[6]2S)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<3>,2|N<2>,2|O<2>}	S(C[6a]C[6a]2)(P[6]N[6]2S)	S(C[6a]C[6a]2)(P[6]N[6]2S)	97.4169	0.001	2	97.3693	0.002	5	97.3693	0.002	5	97.3693	0.002	5	97.3693	0.002	5	97.3693	0.002	5
849	909	914	0:SP3_SP2_SP2	P[6]	S	N[6]	2:2:2:2:	3:4:	4:4:	N[6]-2:N[6]-2:S-2:N-2:	C[6a]-3:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(SC[6a])(NC)	S(C[6a]C[6a]2)(P[6]N[6]2N)	N[6](P[6]N[6]Cl2)(P[6]N[6]NS)	P[6](N[6]P[6])2(SC[6a])(NC){4|Cl<1>,1|N<2>}	S(C[6a]C[6a]2)(P[6]N[6]2N)	N[6](P[6]N[6]Cl2)(P[6]N[6]NS){1|P<4>}	109.8975	1.743	2	109.8975	3.038	2	109.8975	3.038	2	109.9964	2.648	22	109.9964	2.648	22	109.9964	2.648	22
849	909	914	0:SP3_SP2_SP2	P[6]	S	N[6]	2:2:2:2:	3:4:	4:4:	N[6]-2:N[6]-2:S-2:S-2:	C[6a]-3:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	S(C[6a]C[6a]2)(P[6]N[6]2S)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<2>,2|N<3>,2|O<2>}	S(C[6a]C[6a]2)(P[6]N[6]2S)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	110.0069	1.684	12	110.0062	2.766	20	110.0062	2.766	20	109.9964	2.648	22	109.9964	2.648	22	109.9964	2.648	22
849	909	914	0:SP3_SP2_SP2	P[6]	S	N[6]	2:2:2:2:	3:4:	4:4:	N[6]-2:N[6]-2:S-2:S-2:	C[6a]-3:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	S(C[6a]C[6a]2)(P[6]N[6]2S)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<3>,2|N<2>,2|O<2>}	S(C[6a]C[6a]2)(P[6]N[6]2S)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	111.1893	0.182	4	110.0062	2.766	20	110.0062	2.766	20	109.9964	2.648	22	109.9964	2.648	22	109.9964	2.648	22
849	909	914	0:SP3_SP2_SP2	P[6]	S	N[6]	2:2:2:2:	3:4:	4:4:	N[6]-2:N[6]-2:S-2:S-2:	C[6a]-3:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	S(C[6a]C[6a]2)(P[6]N[6]2S)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<3>,2|N<2>,2|O<2>}	S(C[6a]C[6a]2)(P[6]N[6]2S)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|P<4>,2|C<4>}	108.8213	1.830	4	110.0062	2.766	20	110.0062	2.766	20	109.9964	2.648	22	109.9964	2.648	22	109.9964	2.648	22
849	909	941	0:SP3_SP2_SP2	P[6]	S	N	2:2:2:2:	3:4:	4:4:	N[6]-2:N[6]-2:S-2:N-2:	C[6a]-3:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(SC[6a])(NC)	S(C[6a]C[6a]2)(P[6]N[6]2N)	N(P[6]N[6]2S)(CCHH)	P[6](N[6]P[6])2(SC[6a])(NC){4|Cl<1>,1|N<2>}	S(C[6a]C[6a]2)(P[6]N[6]2N)	N(P[6]N[6]2S)(CCHH)	100.7020	0.000	1	100.7020	0.000	1	100.7020	0.000	1	100.7020	0.000	1	100.7020	0.000	1	100.7020	0.000	1
849	909	977	0:SP3_SP-NON_SP3	P[6]	S	S	2:2:2:1:	4:1:	4:	O[6]-2:O[6]-2:S-2:S-1:	P[6]-4:H-1:	P[6]-4:	P[6](O[6]C[6])2(SH)(S)	S(P[6]O[6]2S)(H)	S(P[6]O[6]2S)	P[6](O[6]C[6])2(SH)(S){2|C<4>,3|H<1>}	S(P[6]O[6]2S)(H)	S(P[6]O[6]2S)	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	108.8540	0.000	1	112.5685	27.595	2	112.5685	27.595	2
849	909	977	0:SP3_SP-NON_SP3	P[6]	S	S	3:2:2:1:	4:4:	4:	C[6,6]-3:S[6]-2:S-2:S-1:	P[6]-4:Si-4:	P[6]-4:	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S)	S(P[6]C[6,6]S[6]S)(SiC3)	S(P[6]C[6,6]S[6]S)	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S){1|N<3>,1|S<1>,3|C<3>}	S(P[6]C[6,6]S[6]S)(SiC3)	S(P[6]C[6,6]S[6]S)	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	116.2830	0.000	1	112.5685	27.595	2	112.5685	27.595	2
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])2	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])2{1|H<1>,1|P<4>,4|C<4>}	109.7935	0.019	2	109.7935	0.000	2	109.7935	0.000	2	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl){1|P<4>,4|C<4>}	110.5030	0.539	2	110.5030	0.290	2	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	110.4187	1.411	3	110.9542	1.551	5	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	111.7575	0.265	2	110.9542	1.551	5	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	110.0650	0.000	1	109.7220	0.109	3	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	109.5505	0.206	2	109.7220	0.109	3	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|P<4>,2|C<4>}	110.0133	1.011	6	110.0133	1.023	6	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|P<4>,2|C<4>}	112.2280	0.042	2	112.2280	0.002	2	110.5266	1.297	18	110.4533	1.212	20	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6,6]N[6]3)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]3)2{1|H<1>,1|P<4>,6|C<4>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	109.0690	7.865	2	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|P<4>,3|C<4>}	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	109.0690	7.865	2	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,3|C<4>}	108.3580	0.000	1	108.8087	0.152	3	109.7303	4.272	6	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,3|C<4>}	109.0340	0.000	2	108.8087	0.152	3	109.7303	4.272	6	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6,6]N[6]3)(P[6]N[6]ClN)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|Cl<1>,1|C<4>,2|C<3>,2|N<2>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClN){1|P<4>,3|C<4>}	107.3900	0.000	1	107.3900	0.000	1	109.7303	4.272	6	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6,6]N[6]3)(P[6]N[6]ClO)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClO){1|P<4>,3|C<4>}	112.2830	0.000	2	112.2830	0.000	2	109.7303	4.272	6	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6]-4:P[6,6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3){1|P<4>,7|C<4>}	109.1395	1.008	4	109.1395	1.015	4	109.2234	0.797	5	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:C[6]-4:	P[6]-4:P[6,6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	N[6](P[6]N[5]N[6]Cl)(P[6,6]N[6]3)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	N[6](P[6]N[5]N[6]Cl)(P[6,6]N[6]3){1|P<4>,5|C<4>}	109.5590	0.000	1	109.5590	0.000	1	109.2234	0.797	5	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	0:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6,6]-4:C[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|Cl<1>,1|C<4>,2|C<3>,2|N<2>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|P<4>,3|C<4>,4|C<3>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	109.4479	2.328	12	110.0170	2.000	34	110.0170	2.000	34
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	N[6](P[6,6]N[6]2O[6])2	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|H<1>,1|P<4>,4|C<4>}	116.3600	0.038	2	116.3600	0.001	2	116.3600	0.001	2	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl){1|P<4>,4|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	114.4160	0.383	2	114.4160	0.147	2	115.4017	1.205	8	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	116.6730	0.000	1	115.4680	1.137	3	115.4017	1.205	8	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	114.8655	0.310	2	115.4680	1.137	3	115.4017	1.205	8	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|P<4>,2|C<4>}	115.9927	1.227	3	115.9927	1.504	3	115.4017	1.205	8	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	P[6,6]-4:P[6,6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])2(O[6]C[6])2	N[6](P[6,6]N[6]O[6]2)(P[6,6]N[6]3)	N[6](P[6,6]N[6]O[6]2)2	P[6,6](N[6]P[6,6])2(O[6]C[6])2{1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6,6]N[6]3){1|H<1>,1|P<4>,5|C<4>}	N[6](P[6,6]N[6]O[6]2)2{1|P<4>,4|C<4>}	118.5803	0.257	4	118.5803	0.066	4	118.5803	0.066	4	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]P[6])(O[6]C[6])2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]O[6]2)2	P[6,6](N[6]P[6,6])(N[6]P[6])(O[6]C[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]O[6]2)2{1|P<4>,4|C<4>}	117.3300	0.107	2	117.3300	0.012	2	117.3300	0.012	2	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]P[6])2(O[6]C[6])2	N[6](P[6,6]N[6]O[6]2)(P[6]C[6a]2N[6])	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	P[6,6](N[6]P[6])2(O[6]C[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]C[6a]2N[6]){1|P<4>,2|C<4>,4|C<3>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	118.6640	0.000	1	118.6640	0.000	1	117.2841	0.759	22	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]P[6])2(O[6]C[6])2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	P[6,6](N[6]P[6])2(O[6]C[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	116.7904	0.632	14	116.7904	0.400	14	117.2841	0.759	22	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]P[6])2(O[6]C[6])2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN)	P[6,6](N[6]P[6])2(O[6]C[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN){1|P<4>,2|C<4>}	118.2115	0.227	6	118.2115	0.051	6	117.2841	0.759	22	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]P[6])2(O[6]C[6])2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]FF)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]FF)	P[6,6](N[6]P[6])2(O[6]C[6])2{1|N<2>,1|P<4>,4|F<1>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]FF){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]FF){1|P<4>,2|C<4>}	117.2510	0.000	1	117.2510	0.000	1	117.2841	0.759	22	116.9780	1.562	38	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6,6]N[6]2O[6])2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|C<3>,1|P<4>,6|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|P<4>,2|C<3>,4|C<4>}	116.8812	0.626	4	116.8812	0.392	4	115.9304	1.608	10	115.9304	1.608	10	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]3)	N[6](P[6,6]N[6]2O[6])2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]3){1|C<3>,1|P<4>,6|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|P<4>,2|C<3>,4|C<4>}	116.5845	0.722	2	116.5845	0.521	2	115.9304	1.608	10	115.9304	1.608	10	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	O[6]-2:N[6]-2:N[6]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])2	P[6,6](O[6]C[6,6a])(N[6]P[6,6])(N[6]C[6]C)(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|P<4>,2|C<3>,4|C<4>}	114.6525	0.768	4	114.6525	0.590	4	115.9304	1.608	10	115.9304	1.608	10	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	P[6,6]-4:P[6,6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H)	N[6](P[6,6]N[6]O[6]2)(P[6,6]N[6]3)	N[6](P[6,6]N[6]O[6]2)(P[6,6]N[6]3)	P[6,6](N[6]P[6,6])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>,4|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6,6]N[6]3){1|H<1>,1|P<4>,5|C<4>}	N[6](P[6,6]N[6]O[6]2)(P[6,6]N[6]3){1|H<1>,1|P<4>,5|C<4>}	116.2490	0.099	2	116.2490	0.010	2	116.2490	0.010	2	116.2490	0.010	2	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6])	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	N[6](P[6,6]N[6]3)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)2{1|H<1>,1|P<4>,6|C<4>}	114.9690	0.000	1	114.9690	0.000	1	114.9690	0.000	1	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6])	N[6](P[6,6]N[6]2O[6])2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6]){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	N[6](P[6,6]N[6]2O[6])2{1|P<4>,2|H<1>,4|C<4>}	117.5135	1.606	2	117.5135	2.579	2	117.2301	0.846	18	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]OO)	N[6](P[6,6]N[6]2O[6])2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,3|O<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]OO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|P<4>,2|H<1>,4|C<4>}	117.0986	1.052	8	117.0986	1.106	8	117.2301	0.846	18	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	N[6](P[6,6]N[6]2O[6])2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|P<4>,2|H<1>,4|C<4>}	117.1068	0.765	6	117.2906	0.534	8	117.2301	0.846	18	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	N[6](P[6,6]N[6]2O[6])2	P[6,6](N[6]P[6,6])(N[6]C[6]H)(N[6]P[6])(O[6]C[6]){1|C<4>,1|O<2>,2|N<2>,2|S<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])2{1|H<1>,1|P<4>,4|C<4>}	117.8420	0.040	2	117.2906	0.534	8	117.2301	0.846	18	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{1|N<2>,2|C<3>,2|H<1>,4|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|C<3>,1|P<4>,6|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|C<3>,1|P<4>,6|C<4>}	119.1180	0.000	1	119.1180	0.000	1	115.0372	4.568	6	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](O[6]C[6,6a])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	113.6497	0.378	3	113.6497	0.143	3	115.0372	4.568	6	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:2:2:	4:4:	4:4:	O[6]-2:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](O[6]C[6,6a])(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	115.0780	0.354	2	115.0780	0.125	2	115.0372	4.568	6	116.6133	2.570	25	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	N[6](P[6,6]N[6]3)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)2{1|H<1>,1|P<4>,6|C<4>}	114.6800	0.000	1	114.6800	0.000	1	114.4409	1.631	9	114.4409	1.631	9	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[6]-3:N[6]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6,6]-4:	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6])	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)2(N[6]P[6]){2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[6,6]N[6]3)2{1|P<4>,8|C<4>}	114.4110	1.362	8	114.4110	1.855	8	114.4409	1.631	9	114.4409	1.631	9	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6,6]-3:O[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6,6]N[6]O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6,6]N[6]O[6])(P[6]N[6]Cl2)	P[6,6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	N[6](P[6,6]N[6,6]N[6]O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6,6]N[6]O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]ClO)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClO){1|P<4>,3|C<4>}	112.7770	0.000	2	112.7770	0.000	2	112.7770	0.000	2	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6,6]N[6]3)(P[6]N[6]ClN)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|Cl<1>,1|C<4>,2|C<3>,2|N<2>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|P<4>,3|C<4>,4|C<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClN){1|P<4>,3|C<4>}	115.8420	0.000	1	115.8420	0.000	1	115.3455	0.493	2	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6]N[5]N[6]Cl)(P[6,6]N[6]3)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6]N[5]N[6]Cl)(P[6,6]N[6]3){1|P<4>,5|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,3|C<4>}	114.8490	0.000	1	114.8490	0.000	1	115.3455	0.493	2	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6,6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3)	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3)	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3){1|P<4>,7|C<4>}	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3){1|P<4>,7|C<4>}	117.7100	0.064	2	117.7100	0.004	2	117.7100	0.004	2	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	P[6,6](N[6]C[6]C)(N[6]P[6])2(O[6]C[6]){1|C<4>,1|N<2>,4|H<1>,4|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|P<4>,7|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|P<4>,7|C<4>}	117.3800	0.000	1	117.3800	0.000	1	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6]){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	114.0160	0.000	1	114.0160	0.000	1	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl){1|H<1>,1|P<4>,4|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	113.8530	0.000	1	113.8530	0.000	1	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|H<1>,1|P<4>,2|C<4>}	114.9670	0.000	1	114.9670	0.000	1	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	114.1220	1.500	2	114.1220	2.251	2	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	P[6,6](N[6]C[6]H)(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	116.8160	0.000	1	116.8160	0.000	1	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl){3|C<4>,3|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){2|C<4>,2|P<4>}	116.1410	0.000	1	116.1410	0.000	1	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){5|Cl<1>,1|C<4>,3|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){2|C<4>,2|P<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){2|C<4>,2|P<4>}	117.1290	0.000	2	117.1290	0.000	2	115.5675	2.465	10	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{2|H<1>,2|N<2>,3|C<3>,4|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|P<4>,2|C<3>,5|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|P<4>,2|C<3>,5|C<4>}	118.2990	0.000	1	118.2990	0.000	1	117.1090	0.802	4	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<4>,1|P<4>,2|C<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<4>,1|P<4>,2|C<3>}	116.7123	0.509	3	116.7123	0.259	3	117.1090	0.802	4	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	O[6]-3:N[6]-2:N[6]-2:O[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]O[6]Cl)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|O<3>,3|N<2>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]O[6]Cl){3|C<4>,3|P<4>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){2|C<4>,2|P<4>}	116.0830	0.000	1	116.0830	0.000	1	116.0830	0.000	1	115.7688	2.814	22	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	111.5773	0.775	3	111.5773	0.601	3	114.3342	3.920	16	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]ClO)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClO){1|H<1>,1|P<4>,3|C<4>}	114.4577	0.738	7	114.4577	0.545	7	114.3342	3.920	16	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|H<1>,1|P<4>,3|C<4>}	117.5015	0.739	2	117.5015	0.546	2	114.3342	3.920	16	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|O<2>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|H<1>,1|P<4>,3|C<4>}	116.0650	0.000	1	116.0650	0.000	1	114.3342	3.920	16	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)2(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)2(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	113.1665	1.510	2	113.1665	2.279	2	114.3342	3.920	16	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]P[6])(N[6]C[6]C)(N[6]P[6])2{4|Cl<1>,1|C<4>,1|N<3>,3|N<2>,4|H<1>}	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl){3|P<4>,4|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){2|P<4>,3|C<4>}	116.0100	0.000	1	116.0100	0.000	1	114.3342	3.920	16	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	113.3990	0.000	1	113.3990	0.000	1	115.0347	2.438	3	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6]C[6a]C[6]N[6])(P[6,6]N[6]3)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[6](P[6]C[6a]C[6]N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	115.1960	0.000	1	115.1960	0.000	1	115.0347	2.438	3	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6,6]-4:P[6]-4:	P[6,6](N[6]C[6]C)2(N[6]P[6])2	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6,6](N[6]C[6]C)2(N[6]P[6])2{2|Cl<1>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3){1|P<4>,8|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	116.5090	0.000	1	116.5090	0.000	1	115.0347	2.438	3	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6,6]-4:	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	P[6,6](N[6]C[6]C)(N[6]C[6]H)(N[6]P[6])2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	116.2140	0.000	1	116.2140	0.000	1	114.4985	5.886	2	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6,6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6,6]-4:	P[6,6](N[6]C[6]H)2(N[6]P[6])2	N[6](P[6]N[5a]2N[6])(P[6,6]N[6]3)	N[6](P[6]N[5a]2N[6])(P[6,6]N[6]3)	P[6,6](N[6]C[6]H)2(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	N[6](P[6]N[5a]2N[6])(P[6,6]N[6]3){1|P<4>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6](P[6]N[5a]2N[6])(P[6,6]N[6]3){1|P<4>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	112.7830	0.000	1	112.7830	0.000	1	114.4985	5.886	2	114.4499	3.540	21	116.0050	3.146	127	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	3:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-3:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[5]N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|C<3>,1|N<2>}	N[6](P[6]C[5]N[6])(P[6]N[6]Cl2){1|P<4>,2|N<3>}	N[6](P[6]N[6]Cl2)2{1|P<3>}	121.2205	0.095	2	121.2205	0.009	2	121.2205	0.009	2	121.2205	0.009	2	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:3:	4:3:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[6]C[6])2(Cl)2	N[6](P[6]N[6]Cl2)(C[6]N[6]2)	N[6](P[6]N[6]Cl2)(C[6]N[6]N)	P[6](N[6]C[6])2(Cl)2{1|N<2>,2|N<3>}	N[6](P[6]N[6]Cl2)(C[6]N[6]2){1|C<3>,2|C<4>}	N[6](P[6]N[6]Cl2)(C[6]N[6]N){1|C<3>}	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[4,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[4,6])(N[6]P[6])(Cl)2	N[6](P[4,6]N[4]2N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[4,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[4,6]N[4]2N[6])(P[6]N[6]Cl2){2|C<4>,2|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.2302	0.491	8	119.2302	0.241	8	119.2302	0.241	8	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[5,6]-4:P[6]-4:	P[6](N[6]P[5,6])2(Cl)2	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2)	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2)	P[6](N[6]P[5,6])2(Cl)2{1|N<2>,4|N<3>}	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<4>}	122.2210	0.402	2	122.2210	0.161	2	121.4920	0.695	5	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[5,6]-4:P[6]-4:	P[6](N[6]P[5,6])2(Cl)2	N[6](P[5,6]N[5]N[6]S[5])(P[6]N[6]Cl2)	N[6](P[5,6]N[5]N[6]S[5])(P[6]N[6]Cl2)	P[6](N[6]P[5,6])2(Cl)2{1|N<2>,2|N<3>,2|S<2>}	N[6](P[5,6]N[5]N[6]S[5])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[5,6]N[5]N[6]S[5])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	121.0060	0.651	3	121.0060	0.424	3	121.4920	0.695	5	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|H<1>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.3720	0.000	1	119.9882	0.094	10	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[5,6]N[5]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	120.0567	0.231	9	119.9882	0.094	10	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<3>,1|O<2>,2|N<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	119.7770	0.000	1	119.7770	0.000	1	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	120.0180	0.000	1	119.8407	0.026	3	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2){1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.7520	0.066	2	119.8407	0.026	3	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.1697	0.216	3	119.4664	0.124	7	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]Cl2){1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.6890	0.250	4	119.4664	0.124	7	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[5]N[6]S[5])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|S<2>}	N[6](P[5,6]N[5]N[6]S[5])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.4285	0.465	2	119.4285	0.216	2	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]Cl2)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	120.5900	0.000	1	120.5900	0.000	1	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	118.8930	0.414	2	118.8930	0.172	2	119.7184	0.222	26	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	P[6](N[6]P[6,6])2(Cl)2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	120.7605	0.644	2	120.7605	0.415	2	121.3554	0.758	7	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])2(Cl)2{1|N<2>,4|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	121.9657	0.352	4	121.9657	0.124	4	121.3554	0.758	7	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(Cl)2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])2(Cl)2{1|N<2>,4|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	120.1040	0.000	1	120.1040	0.000	1	121.3554	0.758	7	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6,6]N[6]O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6,6]N[6]O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.7905	0.592	2	119.7905	0.350	2	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	120.7620	0.000	1	120.7620	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|O<2>,2|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	119.9440	0.000	1	120.5210	0.334	3	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<3>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	120.8095	0.411	2	120.5210	0.334	3	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|O<2>,2|N<3>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){2|C<4>,2|P<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	119.3060	0.000	1	119.3060	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<3>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	118.3830	0.000	1	118.9947	0.358	4	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<3>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	119.6500	0.000	1	118.9947	0.358	4	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|O<2>,3|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	118.9730	0.520	2	118.9947	0.358	4	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.3245	0.390	2	119.3245	0.152	2	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.2938	0.454	4	119.4129	0.192	20	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<3>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.6022	0.230	6	119.4129	0.192	20	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){1|C<4>,1|P<4>,2|C<3>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.6268	0.491	6	119.4129	0.192	20	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]Cl2){2|C<4>,2|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.9270	0.148	4	119.4129	0.192	20	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	119.6840	0.000	1	119.6840	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]C[6a]C[6]N[6])(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]C[6a]C[6]N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	121.0240	0.000	1	121.0240	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,3|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){2|P<4>,3|C<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	119.6880	0.000	1	119.6880	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|O<2>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.7099	0.329	7	119.7630	0.092	9	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<3>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.9490	0.000	2	119.7630	0.092	9	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.9102	0.258	6	120.0104	0.094	10	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	120.1608	0.345	4	120.0104	0.094	10	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|N<2>,2|C<3>,2|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	119.9330	0.000	1	119.9330	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.9551	0.431	28	118.9551	0.185	28	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2)	N[6](P[6]N[6]O[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,1|N<2>,1|O<2>,2|O<3>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]Cl2){2|C<4>,2|P<4>}	N[6](P[6]N[6]O[6]Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	119.2260	0.000	1	119.2260	0.000	1	119.4396	0.387	85	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6]N[5]2N[6])(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|N<2>,4|N<3>}	N[6](P[6]N[5]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,4|C<4>}	121.8890	0.000	1	121.8890	0.000	1	121.3630	0.553	2	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[6]P[6])(Cl)2{1|Cl<1>,2|N<2>,2|N<3>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]Cl2){1|P<4>,3|C<4>}	120.8370	0.000	1	120.8370	0.000	1	121.3630	0.553	2	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|C<3>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|N<2>,1|N<3>,1|P<4>,2|C<3>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.0330	0.471	2	119.3670	0.207	5	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|C<3>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|N<2>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.9790	0.000	1	119.3670	0.207	5	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|C<3>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|N<3>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.3950	0.076	2	119.3670	0.207	5	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2){1|C<3>,1|N<3>,1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.0315	0.607	2	119.0315	0.369	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[6a]N[6]2)(P[6]N[6]Cl2)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6])2(Cl)2{1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	N[6](P[6]C[6a]N[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|C<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	120.3350	0.000	1	120.3350	0.000	1	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[6a]N[6]P)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|C<3>,1|N<2>,1|P<4>}	N[6](P[6]C[6a]N[6]P)(P[6]N[6]Cl2){1|P<4>,2|C<3>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.7955	0.480	2	118.7955	0.231	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.3865	0.292	4	118.3865	0.085	4	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]CC)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|C<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]CC){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.6000	0.000	1	119.6000	0.000	1	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{3|Cl<1>,1|C<2>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.5580	0.000	1	118.5580	0.000	1	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	119.5250	0.000	1	119.5250	0.000	1	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.0397	0.320	6	119.1704	0.187	10	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{3|Cl<1>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.3665	0.551	4	119.1704	0.187	10	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.6699	1.333	12	119.6699	1.776	12	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	P[6](N[6]P[6])2(Cl)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	119.2310	0.000	1	119.2470	0.001	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	P[6](N[6]P[6])2(Cl)2{1|Cl<1>,2|N<2>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	119.2630	0.000	1	119.2470	0.001	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	P[6](N[6]P[6])2(Cl)2{1|Cl<1>,1|N<2>,1|O<1>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	120.7230	0.000	1	119.9750	1.119	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	P[6](N[6]P[6])2(Cl)2{1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	119.2270	0.000	1	119.9750	1.119	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.7745	0.281	8	118.7745	0.079	8	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(Cl)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	119.4440	0.000	1	120.6440	1.919	4	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(Cl)2{2|N<3>,3|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	121.8435	0.054	2	120.6440	1.919	4	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(Cl)2{5|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	119.4450	0.000	1	120.6440	1.919	4	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.7714	0.435	13	119.7699	0.177	15	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.7605	0.450	2	119.7699	0.177	15	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.6983	0.646	10	118.7645	0.392	12	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.0955	0.541	2	118.7645	0.392	12	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NS)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|S<2>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NS){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	119.9055	0.541	2	119.9055	0.293	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	P[6](N[6]P[6])2(Cl)2{1|N<2>,4|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	119.5715	1.104	2	119.5715	1.218	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.9045	0.952	2	118.9045	0.907	2	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)2	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	N[6](P[6]N[6]Cl2)2{1|P<4>}	118.5130	0.083	2	116.0097	1.223	14	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)2	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{4|Cl<1>,1|N<3>}	N[6](P[6]N[6]Cl2)2{1|Al<4>,1|P<4>}	N[6](P[6]N[6]Cl2)2{1|Al<4>,1|P<4>}	115.5492	0.264	6	116.0097	1.223	14	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)2	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{4|Cl<1>,1|N<3>}	N[6](P[6]N[6]Cl2)2{1|C<4>,1|P<4>}	N[6](P[6]N[6]Cl2)2{1|C<4>,1|P<4>}	114.8420	0.000	1	116.0097	1.223	14	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)2	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{4|Cl<1>,1|N<3>}	N[6](P[6]N[6]Cl2)2{1|Ga<4>,1|P<4>}	N[6](P[6]N[6]Cl2)2{1|Ga<4>,1|P<4>}	115.7780	0.216	4	116.0097	1.223	14	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(Cl)2	N[6](P[6]N[6]Cl2)2	N[6](P[6]N[6]Cl2)2	P[6](N[6]P[6])2(Cl)2{4|Cl<1>,1|N<3>}	N[6](P[6]N[6]Cl2)2{1|H<1>,1|P<4>}	N[6](P[6]N[6]Cl2)2{1|H<1>,1|P<4>}	115.8610	0.000	1	116.0097	1.223	14	118.8788	2.127	102	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(F)2	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6,6])(N[6]P[6])(F)2{1|N<2>,2|F<1>,2|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]FF){1|P<4>,2|C<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.6275	0.909	2	119.6275	0.826	2	119.6275	0.826	2	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<4>,1|N<2>,3|F<1>}	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF){1|Co<9>,1|P<4>,2|C<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.4836	0.552	11	119.4836	0.305	11	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<3>,1|N<2>,3|F<1>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<3>,1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.6350	0.441	2	119.3569	0.137	10	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<4>,1|N<2>,3|F<1>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|Fe<8>,1|P<4>,2|C<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.2874	0.348	8	119.3569	0.137	10	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<3>,1|N<2>,3|F<1>}	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<2>,1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.3490	0.301	2	119.5367	0.248	4	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<3>,1|N<2>,3|F<1>}	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<3>,1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.7245	0.715	2	119.5367	0.248	4	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]C[6a]N[6]F)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<3>,1|N<2>,3|F<1>}	N[6](P[6]C[6a]N[6]F)(P[6]N[6]FF){1|P<4>,2|C<3>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.8970	0.273	2	119.8970	0.074	2	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<2>,1|N<2>,3|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.3240	0.355	2	119.8562	0.416	16	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<3>,1|N<2>,3|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	119.7180	0.750	6	119.8562	0.416	16	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|C<4>,1|N<2>,3|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	120.0929	0.557	8	119.8562	0.416	16	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]N[6]FF)(P[6]N[6]FO)	N[6](P[6]N[6]FF)(P[6]N[6]FO)	P[6](N[6]P[6])2(F)2{1|N<2>,2|F<1>,2|O<2>}	N[6](P[6]N[6]FF)(P[6]N[6]FO){1|P<4>}	N[6](P[6]N[6]FF)(P[6]N[6]FO){1|P<4>}	120.3550	0.000	1	120.3550	0.000	1	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:F-1:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(F)2	N[6](P[6]N[6]FF)2	N[6](P[6]N[6]FF)2	P[6](N[6]P[6])2(F)2{1|N<2>,4|F<1>}	N[6](P[6]N[6]FF)2{1|P<4>}	N[6](P[6]N[6]FF)2{1|P<4>}	118.9860	0.109	2	118.9860	0.012	2	119.6056	0.326	46	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-1:O-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(O)2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	P[6](N[6]P[6])2(O)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	101.0910	0.000	1	101.0145	0.012	2	101.0145	0.012	2	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-1:O-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(O)2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	P[6](N[6]P[6])2(O)2{5|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	100.9380	0.000	1	101.0145	0.012	2	101.0145	0.012	2	119.2538	3.651	285	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:1:1:	7:4:	7:4:	N[6]-2:N[6]-2:Cl-1:Cl-1:	Nb[3,3,6]-7:P[6]-4:	Nb[3,3,6]-7:P[6]-4:	P[6](N[6]Nb[3,3,6])2(Cl)2	N[6](Nb[3,3,6]P[3,3]Cl[6]N[3]2Cl2)(P[6]N[6]Cl2)	N[6](Nb[3,3,6]P[3,3]Cl[6]N[3]2Cl2)(P[6]N[6]Cl2)	P[6](N[6]Nb[3,3,6])2(Cl)2{1|Cl<2>,4|Cl<1>,2|P<5>,4|N<3>}	N[6](Nb[3,3,6]P[3,3]Cl[6]N[3]2Cl2)(P[6]N[6]Cl2){1|Nb<7>,2|Cl<1>,2|Si<4>}	N[6](Nb[3,3,6]P[3,3]Cl[6]N[3]2Cl2)(P[6]N[6]Cl2){1|Nb<7>,2|Cl<1>,2|Si<4>}	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	115.9160	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	3:4:	3:4:	N[6]-2:N[6]-2:O-2:O-1:	C[6]-3:P[6]-4:	C[6]-3:P[6]-4:	P[6](N[6]C[6])2(OP[6])(O)	N[6](C[6]N[5a]N[6])(P[6]N[6]OO)	N[6](C[6]N[5a]N[6])(P[6]N[6]OO)	P[6](N[6]C[6])2(OP[6])(O){3|N<3>}	N[6](C[6]N[5a]N[6])(P[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]N[5a]N[6])(P[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:C-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC)	P[6](N[6]P[6])2(CC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC){1|P<4>}	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:C-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CC)(F)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	P[6](N[6]P[6])2(CC)(F){1|N<2>,4|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	118.7170	0.000	1	118.5460	0.080	3	118.5460	0.080	3	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	118.4605	0.340	2	118.5460	0.080	3	118.5460	0.080	3	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	N[6](P[6,6]N[6]3)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){1|N<3>,2|C<3>,2|N<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClN){1|P<4>,3|C<4>}	116.3640	0.000	1	116.3640	0.000	1	116.3640	0.000	1	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6])2(NC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	116.8830	0.000	1	116.8830	0.000	1	115.8570	2.105	2	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6])2(NC[6])(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	114.8310	0.000	1	114.8310	0.000	1	115.8570	2.105	2	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO){1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	118.8020	0.000	1	118.8020	0.000	1	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO){1|P<4>,3|C<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	118.2950	1.054	8	118.2950	1.111	8	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	116.5020	0.000	1	116.5020	0.000	1	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	118.7005	0.098	2	118.7005	0.010	2	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.8140	0.000	1	119.3340	0.461	2	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO){1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	118.8540	0.000	1	119.3340	0.461	2	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[6]ClO){1|P<4>,3|C<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	119.5740	0.440	2	119.5740	0.193	2	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	118.9910	0.000	1	118.9910	0.000	1	118.5807	1.048	17	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.1650	0.000	1	119.1650	0.000	1	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	118.5005	0.213	2	118.1004	0.281	8	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,2|N<2>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	117.9670	0.547	6	118.1004	0.281	8	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClO){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.0740	0.000	1	119.0740	0.000	1	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.0620	0.000	1	119.0620	0.000	1	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClO){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	119.2203	0.235	6	119.0598	0.128	8	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])(Cl){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClO){1|P<4>,3|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	118.5780	0.000	2	119.0598	0.128	8	118.6622	0.402	19	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO){1|P<4>,4|C<3>}	N[6](P[6]N[6]ClO)2{1|P<4>}	119.2045	0.666	4	119.2045	0.444	4	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[5]N[6]O)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6]N[5]N[6]O)(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	119.0485	0.863	2	119.0485	0.745	2	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6])2(OC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	118.1120	0.000	1	118.1120	0.000	1	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)(P[6]N[6]NO)	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]NO){1|P<4>}	116.1050	0.000	1	116.0990	0.000	2	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)(P[6]N[6]NO)	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]NO){1|P<4>}	116.0930	0.000	1	116.0990	0.000	2	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	117.5230	0.000	1	117.5230	0.000	1	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC)(Cl){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	117.1665	1.393	21	117.1665	1.940	21	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC)(Cl){1|N<2>,4|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	119.0740	0.000	1	119.0740	0.000	1	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	118.1247	1.302	11	118.1247	1.696	11	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(Cl)	N[6](P[6]N[6]ClO)2	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]ClO)2{1|P<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	118.4012	0.906	8	118.4012	0.821	8	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(Cl)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC[6a])(Cl){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO){1|P<4>,4|C<3>}	N[6](P[6]N[6]ClO)2{1|P<4>}	118.3310	0.422	4	118.3310	0.178	4	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	P[6](N[6]P[6])2(OC[6a])(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	116.5630	1.299	3	116.5630	1.687	3	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC[6a])(Cl){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	117.5475	0.790	2	117.5475	0.624	2	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(Cl)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC[6a])(Cl){1|N<2>,4|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	118.6730	0.000	1	118.6730	0.000	1	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(Cl)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)2	P[6](N[6]P[6])2(OC[6a])(Cl){1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)2{1|P<4>}	117.7920	0.638	3	117.7920	0.407	3	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OP[6])(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OP[6])(Cl){2|Cl<1>,1|N<2>,1|O<1>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	119.0910	0.000	1	119.0910	0.000	1	117.8177	1.692	65	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)(F)	N[6](P[6]N[6]FF)(P[6]N[6]FO)	N[6](P[6]N[6]FO)2	P[6](N[6]P[6])2(OC)(F){1|N<2>,1|O<2>,3|F<1>}	N[6](P[6]N[6]FF)(P[6]N[6]FO){1|P<4>}	N[6](P[6]N[6]FO)2{1|P<4>}	118.0715	0.308	2	118.0715	0.095	2	118.0715	0.095	2	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OP[6])(O)	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OP[6])(O){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	117.9899	1.737	112	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	3:4:	3:4:	N[6]-2:N[6]-2:N-2:N-2:	C[6]-3:P[6]-4:	C[6]-3:P[6]-4:	P[6](N[6]C[6])2(NC)2	N[6](C[6]N[6a]N[6])(P[6]N[6]NN)	N[6](C[6]N[6a]N[6])(P[6]N[6]NN)	P[6](N[6]C[6])2(NC)2{1|N<2>,2|N<3>}	N[6](C[6]N[6a]N[6])(P[6]N[6]NN){3|C<3>}	N[6](C[6]N[6a]N[6])(P[6]N[6]NN){3|C<3>}	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:3:	4:3:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[6]C[6])2(NC)2	N[6](P[6]N[6]NN)(C[6]N[6]Cl)	N[6](P[6]N[6]NN)(C[6]N[6]Cl)	P[6](N[6]C[6])2(NC)2{2|Cl<1>,1|N<2>}	N[6](P[6]N[6]NN)(C[6]N[6]Cl){1|C<3>}	N[6](P[6]N[6]NN)(C[6]N[6]Cl){1|C<3>}	106.2060	0.000	1	106.2060	0.000	1	106.2060	0.000	1	112.7284	13.299	5	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:3:	4:3:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[6]C[6])2(OC[6a])2	N[6](P[6]N[6]OO)(C[6]N[6]N)	N[6](P[6]N[6]OO)(C[6]N[6]N)	P[6](N[6]C[6])2(OC[6a])2{1|N<2>,2|N<3>}	N[6](P[6]N[6]OO)(C[6]N[6]N){1|C<3>}	N[6](P[6]N[6]OO)(C[6]N[6]N){1|C<3>}	114.3590	0.076	4	114.3590	0.006	4	114.3590	0.006	4	112.7284	13.299	5	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:C-2:C-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CC)2	N[6](P[6]N[6]Cl2)(P[6]N[6]CC)	N[6](P[6]N[6]Cl2)(P[6]N[6]CC)	P[6](N[6]P[6])2(CC)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]CC){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]CC){1|P<4>}	115.9740	0.000	1	115.9740	0.000	1	115.9740	0.000	1	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	114.5895	1.245	2	115.1280	0.743	7	113.3463	8.905	10	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	115.7490	0.933	2	115.1280	0.743	7	113.3463	8.905	10	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC)2{5|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	115.0730	0.581	3	115.1280	0.743	7	113.3463	8.905	10	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC[6])2{1|N<3>,2|N<2>,2|O<1>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	108.1500	0.000	1	109.1890	0.810	3	113.3463	8.905	10	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC[6])2{2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	109.7085	0.015	2	109.1890	0.810	3	113.3463	8.905	10	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]N[6]NO)2	P[6](N[6]P[6])2(NC)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]N[6]NO)2{1|P<4>}	116.5190	0.000	1	116.5190	0.000	1	115.5730	1.790	2	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC)(OC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]ClO)(P[6]N[6]NO)	P[6](N[6]P[6])2(NC)(OC){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]NO){1|P<4>}	114.6270	0.000	1	114.6270	0.000	1	115.5730	1.790	2	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OP[6])(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	P[6](N[6]P[6])2(OP[6])(NC){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2	N[6](P[5,6]N[5]2N[6])(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[5,6]N[5]2N[6])(P[6]N[6]OO){1|P<4>,2|C<4>,2|H<1>}	N[6](P[6]N[6]OO)2{1|P<4>}	119.3335	0.039	2	119.3335	0.002	2	118.1090	2.248	4	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[5,6])(N[6]P[6])(OC[6a])2{1|N<2>,4|O<2>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[6]OO){1|P<4>,2|C<3>}	N[6](P[6]N[6]OO)2{1|P<4>}	116.8845	0.863	2	116.8845	0.745	2	118.1090	2.248	4	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(OC[6a])2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]OO)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]OO)	P[6](N[6]P[6,6])2(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]OO){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]OO){1|H<1>,1|P<4>,2|C<4>}	117.8365	0.751	4	117.8365	0.564	4	118.0408	0.632	5	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(OC[6a])2	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	P[6](N[6]P[6,6])2(OC[6a])2{2|N<2>,3|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|P<4>,3|C<4>}	118.8580	0.000	1	118.8580	0.000	1	118.0408	0.632	5	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])2	N[6](P[6,6]N[6]3)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6,6])(N[6]P[6])(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6,6]N[6]3)(P[6]N[6]OO){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	118.1345	0.538	2	118.1345	0.290	2	118.1345	0.290	2	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	P[6](N[6]P[6])2(OC)2{1|N<2>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	118.8270	0.000	1	118.8270	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC)2{1|N<2>,2|C<3>,2|O<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.3351	0.496	14	117.3351	0.246	14	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]OO){1|P<4>,2|C<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	119.1260	0.000	1	119.1260	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]N[6]2O)(P[6]N[6]OO)	N[6](P[6]N[6]2O)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC)2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6]N[6]2O)(P[6]N[6]OO){1|P<4>,2|C<4>}	N[6](P[6]N[6]2O)(P[6]N[6]OO){1|P<4>,2|C<4>}	117.1760	0.000	1	117.1760	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC)2{3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	114.5430	0.000	1	114.5430	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC)2{2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	117.5282	0.900	5	117.5282	0.810	5	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC)2{1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	116.4110	0.717	2	116.4110	0.514	2	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC)2	N[6](P[6]N[6]OO)2	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC)2{1|N<2>,4|O<2>}	N[6](P[6]N[6]OO)2{1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.3277	0.618	9	117.3277	0.381	9	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6])2	N[6](P[6]N[6]OO)2	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6])2{1|N<2>,4|O<2>}	N[6](P[6]N[6]OO)2{1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	120.0670	0.000	1	120.0670	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]N[6]NO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC[6a])(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]N[6]NO)(P[6]N[6]OO){1|P<4>}	118.2590	0.000	1	118.2590	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])(OC){1|N<2>,2|C<3>,2|O<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.4698	0.792	4	117.4698	0.627	4	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(OC)	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])(OC){2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	116.8800	1.805	2	116.8800	3.256	2	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])(OC)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC[6a])(OC){2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	114.5240	0.000	1	114.5240	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	118.3467	0.644	12	118.3467	0.414	12	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,2|C<3>,2|O<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.9295	0.660	4	117.9295	0.435	4	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[5a]2N[6])(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6]N[5a]2N[6])(P[6]N[6]OO){1|P<4>,2|C<3>,2|N<2>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.3420	0.290	2	117.3420	0.084	2	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC[6a])2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	119.1640	0.000	1	119.1640	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]Cl2)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	118.4705	0.165	2	118.4705	0.027	2	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	P[6](N[6]P[6])2(OC[6a])2{2|Cl<1>,1|N<2>,2|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	118.6790	0.000	1	118.6790	0.000	1	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]ClO)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|Cl<1>,1|N<2>,3|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.4795	0.496	2	117.4795	0.246	2	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	118.5325	0.378	4	118.4965	0.141	6	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|N<3>,2|N<2>,2|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	118.4245	0.508	2	118.4965	0.141	6	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]OO)2	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|N<2>,4|O<2>}	N[6](P[6]N[6]OO)2{1|P<4>}	N[6](P[6]N[6]OO)2{1|P<4>}	117.5374	0.607	45	117.5451	0.357	47	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OC[6a])2	N[6](P[6]N[6]OO)2	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])2(OC[6a])2{1|N<3>,4|O<2>}	N[6](P[6]N[6]OO)2{1|Cu<5>,1|P<4>}	N[6](P[6]N[6]OO)2{1|Cu<5>,1|P<4>}	117.7200	0.404	2	117.5451	0.357	47	117.6431	0.761	120	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:O-2:	S[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])(N[6]S[6])(OC)2	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO)	N[6](P[6]N[6]OO)2	P[6](N[6]P[6])(N[6]S[6])(OC)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	N[6](S[6]C[6a]N[6]O)(P[6]N[6]OO){1|P<4>,2|C<3>}	N[6](P[6]N[6]OO)2{1|S<4>}	116.2580	0.649	2	116.2580	0.421	2	116.2580	0.421	2	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:S-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(SC[6a])(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NS)	N[6](P[6]N[6]Cl2)(P[6]N[6]NS)	P[6](N[6]P[6])2(SC[6a])(NC){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NS){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NS){1|P<4>}	114.5430	0.000	1	114.5430	0.000	1	114.5430	0.000	1	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:S-2:S-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<2>,2|N<3>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	117.5497	0.053	3	117.5306	0.003	5	117.5306	0.003	5	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:S-2:S-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(SC[6a])2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS)	P[6](N[6]P[6,6])2(SC[6a])2{1|N<3>,2|N<2>,2|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|H<1>,1|P<4>,2|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]SS){1|P<4>,2|C<4>}	117.5020	0.066	2	117.5306	0.003	5	117.5306	0.003	5	117.2986	2.509	153	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:2:3:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(OP[6])(NCH)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	P[6](N[6]P[6])2(OP[6])(NCH){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	115.5050	0.000	1	115.5050	0.000	1	115.5050	0.000	1	115.5050	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:C-3:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CCoC)(F)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	P[6](N[6]P[6])2(CCoC)(F){1|N<2>,4|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	114.9015	0.470	2	114.9015	0.221	2	114.8747	0.113	3	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:C-3:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CFeC)(F)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	P[6](N[6]P[6])2(CFeC)(F){1|N<2>,4|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	114.8210	0.000	1	114.8210	0.000	1	114.8747	0.113	3	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN)	N[6](P[6]N[6]ClN)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN){1|P<4>,2|C<4>}	N[6](P[6]N[6]ClN)2{1|P<4>}	118.5535	0.522	12	118.5535	0.273	12	118.5193	0.265	13	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	118.1090	0.000	1	118.1090	0.000	1	118.5193	0.265	13	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	N[6](P[6]N[6]ClN)2	P[6](N[6]P[6])2(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	N[6](P[6]N[6]ClN)2{1|P<4>}	119.4010	0.013	2	119.4010	0.000	2	118.1654	1.061	8	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6])2(NCC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	117.5400	0.000	1	117.5400	0.000	1	118.1654	1.061	8	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]ClN)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]ClN)2{1|P<4>}	118.2450	0.047	2	118.2450	0.002	2	118.1654	1.061	8	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6])2(NCH)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	116.9790	0.000	1	116.9790	0.000	1	118.1654	1.061	8	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	P[6](N[6]P[6])2(NC[6a]H)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	116.7020	0.000	1	116.7020	0.000	1	118.1654	1.061	8	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NSiC)(Cl)	N[6](P[6]N[6]ClN)(P[6]N[6]NN)	N[6](P[6]N[6]ClN)2	P[6](N[6]P[6])2(NSiC)(Cl){1|Cl<1>,1|N<2>,3|N<3>}	N[6](P[6]N[6]ClN)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]ClN)2{1|P<4>}	118.8100	0.000	1	118.8100	0.000	1	118.1654	1.061	8	117.9457	1.904	24	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	114.3535	0.132	2	114.3535	0.017	2	113.6039	4.174	8	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NCH)(NC){5|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	115.9870	0.000	1	115.9870	0.000	1	113.6039	4.174	8	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	113.8670	0.605	2	113.8670	0.366	2	113.6039	4.174	8	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	108.9750	0.000	1	108.9750	0.000	1	113.6039	4.174	8	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)(NC[6a])	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(NC[6a]H)(NC[6a]){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	114.1830	0.000	1	114.1830	0.000	1	113.6039	4.174	8	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NHH)(NH)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	P[6](N[6]P[6])2(NHH)(NH){1|N<2>,4|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	113.2450	0.000	1	113.2450	0.000	1	113.6039	4.174	8	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]N[6]NO)2	P[6](N[6]P[6])2(NCH)(OC){1|O<2>,2|C<3>,2|N<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]N[6]NO)2{1|P<4>}	116.4090	0.000	1	116.4090	0.000	1	116.3696	0.626	9	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)(OC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]ClO)(P[6]N[6]NO)	P[6](N[6]P[6])2(NCH)(OC){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]ClO)(P[6]N[6]NO){1|P<4>}	114.4290	0.000	1	114.4290	0.000	1	116.3696	0.626	9	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]N[6]NO)(P[6]N[6]OO)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,2|C<3>,2|O<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]N[6]NO)(P[6]N[6]OO){1|P<4>}	116.5730	0.000	1	116.5730	0.000	1	116.3696	0.626	9	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]N[6]NO)2	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]N[6]NO)2{1|P<4>}	116.2455	0.028	2	116.2455	0.001	2	116.3696	0.626	9	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)(OP[6])	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	P[6](N[6]P[6])2(NC[6a]H)(OP[6]){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	116.8560	0.271	4	116.8560	0.074	4	116.3696	0.626	9	115.0681	4.164	17	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:3:	4:3:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[6]C[6])2(NCN)2	N[6](P[6]N[6]NN)(C[6]N[6]N)	N[6](P[6]N[6]NN)(C[6]N[6]N)	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	N[6](P[6]N[6]NN)(C[6]N[6]N){1|C<3>}	N[6](P[6]N[6]NN)(C[6]N[6]N){1|C<3>}	114.0760	0.520	2	114.0760	0.271	2	114.0760	0.271	2	114.0760	0.271	2	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|P<4>,2|C<4>,3|H<1>}	N[6](P[6]N[6]NN)2{1|H<1>,1|P<4>}	113.2110	0.000	1	113.2110	0.000	1	115.3466	1.661	5	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N[6](P[6]N[6]NN)2	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|H<1>,1|P<4>,3|C<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	115.8805	0.560	4	115.8805	0.314	4	115.3466	1.661	5	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCC)(NCH)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	113.1490	0.000	1	113.1490	0.000	1	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCC)2	N[6](P[6]N[5]2N[6])(P[6]N[6]NN)	N[6](P[6]N[5]2N[6])(P[6]N[6]NN)	P[6](N[6]P[6])2(NCC)2{1|N<2>,4|N<3>}	N[6](P[6]N[5]2N[6])(P[6]N[6]NN){1|P<4>,4|C<4>}	N[6](P[6]N[5]2N[6])(P[6]N[6]NN){1|P<4>,4|C<4>}	114.9800	0.000	1	114.9800	0.000	1	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCC)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(NCC)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	113.0550	0.000	1	113.0550	0.000	1	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)2	N[6](P[6]N[5a]N[5]N[6])(P[6]N[6]NN)	N[6](P[6]N[5a]N[5]N[6])(P[6]N[6]NN)	P[6](N[6]P[6])2(NCH)2{5|N<3>}	N[6](P[6]N[5a]N[5]N[6])(P[6]N[6]NN){1|Co<5>,1|N<2>,1|N<3>,1|P<4>,2|C<3>}	N[6](P[6]N[5a]N[5]N[6])(P[6]N[6]NN){1|Co<5>,1|N<2>,1|N<3>,1|P<4>,2|C<3>}	110.8950	0.000	1	110.8950	0.000	1	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCH)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	115.8973	0.636	3	115.8973	0.405	3	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCN)2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	116.8230	0.006	2	116.8230	0.000	2	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NCN)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N[6](P[6]N[6]NN)2{1|P<4>}	117.2807	0.271	4	117.2807	0.073	4	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC[6]H)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	113.5180	0.000	2	114.2830	0.780	4	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)2	N[6](P[6]N[6]NN)2	N[6](P[6]N[6]NN)2	P[6](N[6]P[6])2(NC[6]H)2{5|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	115.0480	0.000	2	114.2830	0.780	4	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	P[6](N[6]P[6])2(NC[6a]H)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	115.1694	0.399	5	115.1694	0.159	5	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(NSiC)2	N[6](P[6]N[6]ClN)(P[6]N[6]NN)	N[6](P[6]N[6]ClN)(P[6]N[6]NN)	P[6](N[6]P[6])2(NSiC)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6]N[6]ClN)(P[6]N[6]NN){1|P<4>}	N[6](P[6]N[6]ClN)(P[6]N[6]NN){1|P<4>}	115.2790	0.000	1	115.2790	0.000	1	115.2521	2.671	23	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N[5]-3:N[5]-3:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(N[5]C[5]2)2	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	P[6](N[6]P[6,6])2(N[5]C[5]2)2{1|N<2>,2|N<3>,2|O<2>,4|C<4>,8|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|C<3>,1|P<4>,6|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|C<3>,1|P<4>,6|C<4>}	114.4425	0.166	2	114.4425	0.028	2	114.4425	0.028	2	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:3:3:	4:4:	4:4:	N[6]-2:N[6]-2:N[6]-3:N[6]-3:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](N[6]P[6,6])2(N[6]C[6]2)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]3)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]3)	P[6](N[6]P[6,6])2(N[6]C[6]2)2{1|N<2>,2|N<3>,2|O<2>,4|C<4>,8|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]3){1|C<3>,1|P<4>,6|C<4>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]3){1|C<3>,1|P<4>,6|C<4>}	115.3510	0.000	1	115.3510	0.000	1	115.3510	0.000	1	115.2183	2.225	31	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:4:1:	4:4:	4:4:	N[6]-2:N[6]-2:C-4:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CFe2C)(F)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	P[6](N[6]P[6])2(CFe2C)(F){1|N<2>,4|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	116.2460	0.000	1	116.2460	0.000	1	115.0235	0.697	4	115.0235	0.697	4	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:2:4:1:	4:4:	4:4:	N[6]-2:N[6]-2:C-4:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6])2(CMo2C)(F)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	P[6](N[6]P[6])2(CMo2C)(F){1|N<2>,4|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	114.6160	0.221	3	114.6160	0.049	3	115.0235	0.697	4	115.0235	0.697	4	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:2:1:	4:4:	4:4:	N[6]-2:N[5]-3:N[6]-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[5]C[5]2)(N[6]P[6])(Cl)	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[5]N[6]Cl)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[5,6])(N[5]C[5]2)(N[6]P[6])(Cl){2|Cl<1>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	N[6](P[5,6]N[5]N[6]O[5])(P[6]N[5]N[6]Cl){1|P<4>,4|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	118.5380	0.000	1	118.5380	0.000	1	118.6300	0.017	2	118.8712	0.079	6	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:2:1:	4:4:	4:4:	N[6]-2:N[5]-3:N[6]-2:Cl-1:	P[5,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[5,6])(N[5]C[5]2)(N[6]P[6])(Cl)	N[6](P[5,6]N[6]O[5]2)(P[6]N[5]N[6]Cl)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[5,6])(N[5]C[5]2)(N[6]P[6])(Cl){2|Cl<1>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	N[6](P[5,6]N[6]O[5]2)(P[6]N[5]N[6]Cl){1|P<4>,4|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	118.7220	0.000	1	118.7220	0.000	1	118.6300	0.017	2	118.8712	0.079	6	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:2:1:	4:4:	4:4:	N[6]-2:N[5]-3:N[6]-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)(N[6]P[6])(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[5]C[5]2)(N[6]P[6])(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl){1|H<1>,1|P<4>,4|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	118.8820	0.000	1	118.9220	0.074	3	118.9220	0.074	3	118.8712	0.079	6	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:2:1:	4:4:	4:4:	N[6]-2:N[5]-3:N[6]-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)(N[6]P[6])(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[5]C[5]2)(N[6]P[6])(Cl){2|Cl<1>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]N[6]Cl){1|P<4>,4|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	118.9420	0.380	2	118.9220	0.074	3	118.9220	0.074	3	118.8712	0.079	6	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:2:1:	4:4:	4:4:	N[6]-2:N[5]-3:N[6]-2:Cl-1:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)(N[6]P[6])(Cl)	N[6](P[6]N[5]N[6]Cl)(P[6,6]N[6]3)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[5]C[5]2)(N[6]P[6])(Cl){2|Cl<1>,1|N<3>,2|C<4>,2|N<2>,4|H<1>}	N[6](P[6]N[5]N[6]Cl)(P[6,6]N[6]3){1|P<4>,5|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	118.8712	0.079	6	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6]N[5]2N[6])2	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6]){1|N<2>,1|O<2>,3|N<3>,4|C<4>,8|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|C<3>,1|P<4>,6|C<4>}	N[6](P[6]N[5]2N[6])2{1|P<4>,8|C<4>}	115.4950	0.279	2	115.7435	0.258	6	115.7435	0.258	6	115.9275	1.075	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6]N[5]2N[6])2	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6]){1|N<2>,1|O<2>,3|N<3>,4|C<4>,8|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|P<4>,2|C<3>,5|C<4>}	N[6](P[6]N[5]2N[6])2{1|P<4>,8|C<4>}	115.5590	0.641	2	115.7435	0.258	6	115.7435	0.258	6	115.9275	1.075	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6])	N[6](P[6]N[5]2N[6])2	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6]){1|N<2>,1|O<2>,3|N<3>,4|C<4>,8|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]N[5]2N[6]){1|P<4>,7|C<4>}	N[6](P[6]N[5]2N[6])2{1|P<4>,8|C<4>}	116.1765	0.486	2	115.7435	0.258	6	115.7435	0.258	6	115.9275	1.075	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6])	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3)	N[6](P[6]N[5]2N[6])(P[6]N[6]Cl2)	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|C<4>,8|H<1>}	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3){1|P<4>,8|C<4>}	N[6](P[6]N[5]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<4>}	113.9880	0.000	1	113.9880	0.000	1	116.1482	2.253	5	115.9275	1.075	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	2:3:3:2:	4:4:	4:4:	N[6]-2:N[5]-3:N[5]-3:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6])	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3)	N[6](P[6]N[5]2N[6])2	P[6](N[6]P[6,6])(N[5]C[5]2)2(N[6]P[6]){2|N<2>,3|N<3>,4|C<4>,8|H<1>}	N[6](P[6]N[5]2N[6])(P[6,6]N[6]3){1|P<4>,7|C<4>}	N[6](P[6]N[5]2N[6])2{1|P<4>,8|C<4>}	116.6882	1.029	4	116.6882	1.060	4	116.1482	2.253	5	115.9275	1.075	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:3:	4:3:	N[5a]-3:N[6]-2:N[6]-2:O-1:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[5a]C[5a]N[5a])(N[6]C[6])2(O)	N[6](P[6]N[5a]N[6]O)(C[6]N[5]N[6])	N[6](P[6]N[5a]N[6]O)(C[6]N[5]N[6])	P[6](N[5a]C[5a]N[5a])(N[6]C[6])2(O){1|C<4>,2|C<3>,3|N<3>}	N[6](P[6]N[5a]N[6]O)(C[6]N[5]N[6]){1|Pd<4>,1|N<2>,1|N<3>,3|C<3>}	N[6](P[6]N[5a]N[6]O)(C[6]N[5]N[6]){1|Pd<4>,1|N<2>,1|N<3>,3|C<3>}	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	108.7740	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	C[5]-3:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5]C[5]N[5])(N[6]P[6])2(F)	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	P[6](C[5]C[5]N[5])(N[6]P[6])2(F){1|Pd<4>,1|C<4>,1|N<3>,2|N<2>,4|F<1>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<3>,1|P<4>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<3>,1|P<4>}	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	C[5a]-3:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(F)	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF)	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(F){1|C<4>,1|N<3>,2|N<2>,4|F<1>}	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<2>,1|P<4>}	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<2>,1|P<4>}	116.0140	0.000	1	116.3070	0.172	2	116.3070	0.172	2	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	C[5a]-3:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(F)	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF)	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(F){2|C<4>,3|N<2>,4|F<1>}	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<3>,1|P<4>}	N[6](P[6]C[5a]N[6]F)(P[6]N[6]FF){1|C<3>,1|N<3>,1|P<4>}	116.6000	0.000	1	116.3070	0.172	2	116.3070	0.172	2	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6])2(F)	N[6](P[6]C[6a]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[6a]N[6]F)(P[6]N[6]FF)	P[6](C[6a]C[6a]2)(N[6]P[6])2(F){1|N<2>,4|C<3>,4|F<1>}	N[6](P[6]C[6a]N[6]F)(P[6]N[6]FF){1|P<4>,2|C<3>}	N[6](P[6]C[6a]N[6]F)(P[6]N[6]FF){1|P<4>,2|C<3>}	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	N[5]-3:N[6]-2:N[6]-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5]C[5]2)(N[6]P[6])2(Cl)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]OO)	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]OO)	P[6](N[5]C[5]2)(N[6]P[6])2(Cl){1|N<2>,2|C<4>,4|H<1>,4|O<2>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]OO){1|P<4>,2|C<4>}	N[6](P[6]N[5]N[6]Cl)(P[6]N[6]OO){1|P<4>,2|C<4>}	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl){3|C<4>,3|P<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	118.5080	0.000	1	118.5080	0.000	1	118.4590	0.005	2	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,2|H<1>,3|N<2>,3|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl){3|P<4>,4|C<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	118.4100	0.000	1	118.4100	0.000	1	118.4590	0.005	2	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]C[6]2)(N[6]P[6])2(Cl)	N[6](P[6]C[6a]N[6]2)(P[6]N[6]2Cl)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]C[6]2)(N[6]P[6])2(Cl){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6](P[6]C[6a]N[6]2)(P[6]N[6]2Cl){1|P<4>,2|C<3>,4|C<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|P<4>,2|C<4>}	118.7860	0.000	1	118.7860	0.000	1	118.0767	0.377	3	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]P[6,6]C[6])(N[6]P[6])2(Cl)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2)	P[6](N[6]P[6,6]C[6])(N[6]P[6])2(Cl){4|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|N<2>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	N[6](P[6]N[6]2Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	117.7220	0.000	2	117.7220	0.000	2	118.0767	0.377	3	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:1:	4:4:	4:4:	O[6]-3:N[6]-2:N[6]-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](O[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]O[6]Cl)	N[6](P[6]N[6]O[6]Cl)(P[6]N[6]Cl2)	P[6](O[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,1|O<3>,2|H<1>,2|O<2>,3|N<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]O[6]Cl){3|C<4>,3|P<4>}	N[6](P[6]N[6]O[6]Cl)(P[6]N[6]Cl2){1|C<4>,2|P<4>}	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	117.7384	0.921	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	C[5a]-3:N[6]-2:N[6]-2:C-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(CC)	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2)	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2)	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(CC){4|Cl<1>,2|C<4>,3|N<2>}	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2){1|C<3>,1|N<3>,1|P<4>}	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2){1|C<3>,1|N<3>,1|P<4>}	114.7900	0.000	1	114.7900	0.000	1	114.7900	0.000	1	117.6662	2.055	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[5]-3:N[6]-2:N[6]-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5]C[5]2)(N[6]P[6])2(OC)	N[6](P[6]N[5]N[6]O)(P[6]N[6]ClO)	N[6](P[6]N[5]N[6]O)(P[6]N[6]ClO)	P[6](N[5]C[5]2)(N[6]P[6])2(OC){2|Cl<1>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	N[6](P[6]N[5]N[6]O)(P[6]N[6]ClO){1|P<4>,2|C<4>}	N[6](P[6]N[5]N[6]O)(P[6]N[6]ClO){1|P<4>,2|C<4>}	115.6220	0.000	1	115.6220	0.000	1	115.6220	0.000	1	117.6662	2.055	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[5a]-3:N[6]-2:N[6]-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a])	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O)	N[6](P[6]N[5a]N[6]O)2	P[6](N[5a]C[5a,6a]C[5a])(N[6]P[6])2(OC[6a]){1|H<1>,1|N<3>,1|O<2>,2|N<2>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O){1|P<4>,6|C<3>}	N[6](P[6]N[5a]N[6]O)2{1|P<4>,4|C<3>}	118.4350	0.562	4	118.4350	0.315	4	118.4160	0.348	8	117.6662	2.055	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[5a]-3:N[6]-2:N[6]-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a])	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O)	N[6](P[6]N[5a]N[6]O)2	P[6](N[5a]C[5a]2)(N[6]P[6])2(OC[6a]){1|N<3>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O){1|P<4>,6|C<3>}	N[6](P[6]N[5a]N[6]O)2{1|P<4>,4|C<3>}	118.3970	0.704	4	118.3970	0.496	4	118.4160	0.348	8	117.6662	2.055	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N[6]-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[6]C[6]2)(N[6]P[6])2(OC)	N[6](P[6]N[6]2O)(P[6]N[6]OO)	N[6](P[6]N[6]2O)2	P[6](N[6]C[6]2)(N[6]P[6])2(OC){1|N<2>,1|N<3>,2|C<4>,3|O<2>,4|H<1>}	N[6](P[6]N[6]2O)(P[6]N[6]OO){1|P<4>,2|C<4>}	N[6](P[6]N[6]2O)2{1|P<4>,4|C<4>}	116.5880	0.000	1	116.5880	0.000	1	116.5880	0.000	1	117.6662	2.055	11	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:C-4:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6])2(CBrHH)	N[6](P[6]C[6a]N[6]C)2	N[6](P[6]C[6a]N[6]C)2	P[6](C[6a]C[6a]2)(N[6]P[6])2(CBrHH){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	117.5768	0.410	5	117.5768	0.168	5	117.3752	0.353	18	117.3752	0.353	18	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:C-4:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6])2(CCHH)	N[6](P[6]C[6a]N[6]C)2	N[6](P[6]C[6a]N[6]C)2	P[6](C[6a]C[6a]2)(N[6]P[6])2(CCHH){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	116.8356	0.367	5	116.8356	0.135	5	117.3752	0.353	18	117.3752	0.353	18	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:C-4:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6])2(CH3)	N[6](P[6]C[6a]N[6]C)2	N[6](P[6]C[6a]N[6]C)2	P[6](C[6a]C[6a]2)(N[6]P[6])2(CH3){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	116.9560	0.786	2	116.9560	0.618	2	117.3752	0.353	18	117.3752	0.353	18	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:C-4:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHI)	N[6](P[6]C[6a]N[6]C)2	N[6](P[6]C[6a]N[6]C)2	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHI){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	117.6840	0.657	3	117.6840	0.432	3	117.3752	0.353	18	117.3752	0.353	18	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:2:4:	4:4:	4:4:	C[6a]-3:N[6]-2:N[6]-2:C-4:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHS)	N[6](P[6]C[6a]N[6]C)2	N[6](P[6]C[6a]N[6]C)2	P[6](C[6a]C[6a]2)(N[6]P[6])2(CHHS){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	N[6](P[6]C[6a]N[6]C)2{1|P<4>,4|C<3>}	117.9093	0.278	3	117.9093	0.077	3	117.3752	0.353	18	117.3752	0.353	18	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:2:3:2:	4:4:	4:4:	C[6a]-3:N[6]-2:C[6]-3:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6])	N[6](P[6]C[6a]C[6]N[6])(P[6,6]N[6]3)	N[6](P[6]C[6a]C[6]N[6])(P[6]N[6]Cl2)	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6]){2|Cl<1>,1|C<2>,1|N<2>,2|N<3>,3|C<3>,4|H<1>}	N[6](P[6]C[6a]C[6]N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	N[6](P[6]C[6a]C[6]N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:3:	4:3:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2	N[6](P[6]N[5a]2N[6])(C[6]N[5a]N[6])	N[6](P[6]N[5a]2N[6])(C[6]N[6]N)	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2{1|N<2>,2|C<4>,2|N<3>,4|C<3>}	N[6](P[6]N[5a]2N[6])(C[6]N[5a]N[6]){3|N<2>,4|C<3>}	N[6](P[6]N[5a]2N[6])(C[6]N[6]N){2|N<2>,3|C<3>}	114.2770	0.000	1	114.2770	0.000	1	114.8020	0.551	2	114.8020	0.551	2	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:3:	4:3:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	P[6]-4:C[6]-3:	P[6]-4:C[6]-3:	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2	N[6](P[6]N[5a]2N[6])(C[6]N[6]N)	N[6](P[6]N[5a]2N[6])(C[6]N[6]N)	P[6](N[5a]C[5a]N[5a])2(N[6]C[6])2{1|N<2>,2|C<4>,2|N<3>,4|C<3>}	N[6](P[6]N[5a]2N[6])(C[6]N[6]N){2|N<2>,3|C<3>}	N[6](P[6]N[5a]2N[6])(C[6]N[6]N){2|N<2>,3|C<3>}	115.3270	0.000	1	115.3270	0.000	1	114.8020	0.551	2	114.8020	0.551	2	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[5a]-3:C[5a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5a]C[5a]N[5a])2(N[6]P[6])2	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	P[6](C[5a]C[5a]N[5a])2(N[6]P[6])2{4|Cl<1>,1|N<3>,3|C<4>,4|N<2>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|N<2>,1|N<3>,1|P<4>,2|C<3>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|N<2>,1|N<3>,1|P<4>,2|C<3>}	114.8030	0.000	1	115.2460	0.218	3	115.2460	0.218	3	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[5a]-3:C[5a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5a]C[5a]N[5a])2(N[6]P[6])2	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	P[6](C[5a]C[5a]N[5a])2(N[6]P[6])2{4|Cl<1>,2|C<4>,2|N<3>,3|N<2>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|N<2>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|N<2>}	115.2010	0.000	1	115.2460	0.218	3	115.2460	0.218	3	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[5a]-3:C[5a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5a]C[5a]N[5a])2(N[6]P[6])2	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2)	P[6](C[5a]C[5a]N[5a])2(N[6]P[6])2{4|Cl<1>,4|C<4>,5|N<2>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|N<3>}	N[6](P[6]C[5a]2N[6])(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|N<3>}	115.7340	0.000	1	115.2460	0.218	3	115.2460	0.218	3	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6,6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6,6])2	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6])	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6])	P[6](C[6a]C[6a]2)2(N[6]P[6,6])2{1|N<2>,2|N<3>,2|O<2>,4|C<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6]){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6]){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	115.0330	0.000	1	115.0330	0.000	1	115.0330	0.000	1	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6])	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	N[6](P[6,6]N[6]2O[6])(P[6]C[6a]2N[6]){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	115.7730	0.000	1	115.7730	0.000	1	116.0755	0.183	2	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6,6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	N[6](P[6,6]N[6]O[6]2)(P[6]C[6a]2N[6])	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){2|Cl<1>,1|N<2>,2|O<2>,4|C<3>,4|H<1>}	N[6](P[6,6]N[6]O[6]2)(P[6]C[6a]2N[6]){1|P<4>,2|C<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	116.3780	0.000	1	116.3780	0.000	1	116.0755	0.183	2	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){2|Cl<1>,1|N<2>,2|N<3>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]Cl2){1|P<4>,4|C<3>}	114.7680	0.000	1	114.7680	0.000	1	116.2848	1.978	4	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){1|Cl<1>,1|N<3>,3|N<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|P<4>,3|C<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	116.4780	0.000	1	116.4780	0.000	1	116.2848	1.978	4	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6])	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3)	N[6](P[6]C[6a]2N[6])2	P[6](C[6a]C[6a]2)2(N[6]P[6,6])(N[6]P[6]){1|N<2>,2|N<3>,4|H<1>,6|C<3>}	N[6](P[6]C[6a]2N[6])(P[6,6]N[6]3){1|H<1>,1|P<4>,3|C<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])2{1|P<4>,8|C<3>}	116.9465	1.650	2	116.9465	2.721	2	116.2848	1.978	4	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O)	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,2|N<3>,2|O<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O){1|P<4>,6|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[5a]N[6]O){1|P<4>,6|C<3>}	115.8195	0.406	4	115.8195	0.165	4	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{2|Cl<1>,1|N<2>,2|N<3>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	116.7180	0.000	1	116.7180	0.000	1	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{2|Cl<1>,1|N<2>,2|O<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClO){1|P<4>,4|C<3>}	115.6012	0.206	4	115.6012	0.043	4	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,2|N<3>,2|O<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	117.2450	0.000	1	117.7860	0.585	2	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<3>,2|N<2>,2|O<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	118.3270	0.000	1	117.7860	0.585	2	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,1|N<3>,3|O<2>,4|C<3>,4|H<1>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	117.1950	0.000	1	117.1950	0.000	1	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,4|C<3>,4|H<1>,4|O<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	117.0197	0.424	11	117.0197	0.180	11	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:C[6a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)2(N[6]P[6])2	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO)	N[6](P[6]C[6a]2N[6])2	P[6](C[6a]C[6a]2)2(N[6]P[6])2{1|N<2>,2|O<2>,4|H<1>,6|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]OO){1|P<4>,4|C<3>}	N[6](P[6]C[6a]2N[6])2{1|P<4>,8|C<3>}	116.6526	0.622	26	116.6526	0.387	26	116.6399	0.505	49	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	C[6a]-3:N[6]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(N[6]C[6]2)(N[6]P[6])2	N[6](P[6]C[6a]N[6]2)(P[6]N[6]2Cl)	N[6](P[6]C[6a]N[6]2)(P[6]N[6]Cl2)	P[6](C[6a]C[6a]2)(N[6]C[6]2)(N[6]P[6])2{3|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>,6|H<1>}	N[6](P[6]C[6a]N[6]2)(P[6]N[6]2Cl){1|P<4>,2|C<3>,4|C<4>}	N[6](P[6]C[6a]N[6]2)(P[6]N[6]Cl2){1|P<4>,2|C<3>,2|C<4>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5]C[5]2)2(N[6]P[6])2	N[6](P[6]N[5]2N[6])(P[6]N[6]NN)	N[6](P[6]N[5]2N[6])2	P[6](N[5]C[5]2)2(N[6]P[6])2{1|N<2>,4|C<4>,4|N<3>,8|H<1>}	N[6](P[6]N[5]2N[6])(P[6]N[6]NN){1|P<4>,4|C<4>}	N[6](P[6]N[5]2N[6])2{1|P<4>,8|C<4>}	116.3015	0.033	2	116.3015	0.001	2	116.8690	0.967	3	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[5]-3:N[5]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5]C[5]N[5])2(N[6]P[6])2	N[6](P[6]N[5]2N[6])2	N[6](P[6]N[5]2N[6])2	P[6](N[5]C[5]N[5])2(N[6]P[6])2{1|Pd<4>,1|N<2>,2|C<4>,4|C<3>,4|N<3>}	N[6](P[6]N[5]2N[6])2{1|P<4>,4|C<3>,4|N<3>}	N[6](P[6]N[5]2N[6])2{1|P<4>,4|C<3>,4|N<3>}	118.0040	0.000	1	118.0040	0.000	1	116.8690	0.967	3	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6,6]-4:	P[6]-4:P[6]-4:	P[6](N[5a]C[5a]N[5a])2(N[6]P[6,6])(N[6]P[6])	N[6](P[6]N[5a]2N[6])(P[6,6]N[6]3)	N[6](P[6]N[5a]2N[6])2	P[6](N[5a]C[5a]N[5a])2(N[6]P[6,6])(N[6]P[6]){1|N<2>,2|C<4>,4|C<3>,4|N<3>}	N[6](P[6]N[5a]2N[6])(P[6,6]N[6]3){1|P<4>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6](P[6]N[5a]2N[6])2{1|P<4>,4|C<3>,4|N<2>}	119.6715	0.377	2	119.6715	0.142	2	119.6715	0.142	2	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:3:2:2:	4:4:	4:4:	N[5a]-3:N[5a]-3:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](N[5a]C[5a]N[5a])2(N[6]P[6])2	N[6](P[6]N[5a]2N[6])(P[6]N[6]OO)	N[6](P[6]N[5a]2N[6])(P[6]N[6]OO)	P[6](N[5a]C[5a]N[5a])2(N[6]P[6])2{1|N<2>,2|H<1>,4|C<3>,4|O<2>}	N[6](P[6]N[5a]2N[6])(P[6]N[6]OO){1|P<4>,2|C<3>,2|N<2>}	N[6](P[6]N[5a]2N[6])(P[6]N[6]OO){1|P<4>,2|C<3>,2|N<2>}	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	116.6195	1.211	66	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	3:4:2:2:	4:4:	4:4:	C[6a]-3:P-4:N[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[6a]C[6a]2)(PC[6a]2Mn)(N[6]P[6])2	N[6](P[6]C[6a]N[6]P)(P[6]N[6]Cl2)	N[6](P[6]C[6a]N[6]P)(P[6]N[6]Cl2)	P[6](C[6a]C[6a]2)(PC[6a]2Mn)(N[6]P[6])2{4|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6](P[6]C[6a]N[6]P)(P[6]N[6]Cl2){1|P<4>,2|C<3>}	N[6](P[6]C[6a]N[6]P)(P[6]N[6]Cl2){1|P<4>,2|C<3>}	115.4820	0.000	1	115.4820	0.000	1	115.4820	0.000	1	115.4820	0.000	1	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	4:2:2:1:	4:4:	4:4:	C[4]-4:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[4]C[4]2Co)(N[6]P[6])2(F)	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF)	P[6](C[4]C[4]2Co)(N[6]P[6])2(F){1|C<4>,1|N<2>,2|C<3>,4|F<1>}	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF){1|Co<9>,1|P<4>,2|C<4>}	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF){1|Co<9>,1|P<4>,2|C<4>}	115.9545	0.467	2	116.7405	0.442	6	116.7405	0.442	6	116.6460	0.377	10	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	4:2:2:1:	4:4:	4:4:	C[4]-4:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[4]C[4]2Co)(N[6]P[6])2(F)	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF)	P[6](C[4]C[4]2Co)(N[6]P[6])2(F){1|N<2>,1|P<4>,2|C<4>,4|F<1>}	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF){1|Co<9>,1|P<4>,2|C<4>}	N[6](P[6]C[4]N[6]F)(P[6]N[6]FF){1|Co<9>,1|P<4>,2|C<4>}	117.1335	0.216	4	116.7405	0.442	6	116.7405	0.442	6	116.6460	0.377	10	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5]C[5]2Fe)(N[6]P[6])2(F)	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	P[6](C[5]C[5]2Fe)(N[6]P[6])2(F){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|F<1>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|Fe<8>,1|P<4>,2|C<4>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|Fe<8>,1|P<4>,2|C<4>}	116.3040	0.028	2	116.5042	0.351	4	116.5042	0.351	4	116.6460	0.377	10	117.8517	4.700	778	117.5926	4.890	905
849	914	914	6:SP3_SP2_SP2	P[6]	N[6]	N[6]	4:2:2:1:	4:4:	4:4:	C[5]-4:N[6]-2:N[6]-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:P[6]-4:	P[6](C[5]C[5]2Fe)(N[6]P[6])2(F)	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF)	P[6](C[5]C[5]2Fe)(N[6]P[6])2(F){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|F<1>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|Fe<8>,1|P<4>,2|C<4>}	N[6](P[6]C[5]N[6]F)(P[6]N[6]FF){1|Fe<8>,1|P<4>,2|C<4>}	116.7045	0.944	2	116.5042	0.351	4	116.5042	0.351	4	116.6460	0.377	10	117.8517	4.700	778	117.5926	4.890	905
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	3:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	C[6]-3:P[6]-4:	P[6](N[6]P[6])2(NC[6])(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(C[6]C[6]N[6])(P[6]N[6]2Cl)	P[6](N[6]P[6])2(NC[6])(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(C[6]C[6]N[6])(P[6]N[6]2Cl)	111.7270	5.610	2	111.7270	31.474	2	111.7270	31.474	2	111.7270	31.474	2	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|H<1>,1|P<4>,2|C<4>}	N(P[6]N[6]2Cl)(CCHH)	109.6280	0.000	1	109.3750	0.165	3	109.8683	1.083	4	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	N(P[6]N[6]2Cl)(CCHH)	109.2485	0.483	2	109.3750	0.165	3	109.8683	1.083	4	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6,6]N[6]3)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){1|N<3>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]3)(P[6]N[6]ClN){1|P<4>,3|C<4>}	N(P[6]N[6]2Cl)(CCHH)	111.3480	0.000	1	111.3480	0.000	1	109.8683	1.083	4	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){1|N<3>,2|C<3>,2|N<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	N(P[6]N[6]2Cl)(CCHH)	112.2140	0.000	1	112.2140	0.000	1	110.2568	5.129	6	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CCHH)	109.6070	0.000	1	109.5513	0.122	3	110.2568	5.129	6	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)	P[6](N[6]P[6,6])(N[6]P[6])(NC)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CCHH)	109.5235	0.489	2	109.5513	0.122	3	110.2568	5.129	6	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:1:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CC3)	P[6](N[6]P[6])2(NC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CC3)	110.3365	4.480	2	110.3365	20.066	2	110.2568	5.129	6	110.1014	3.251	10	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	3:4:	4:3:	N[6]-2:N[6]-2:N-2:N-2:	C[6]-3:P[6]-4:	P[6]-4:C-3:	P[6](N[6]C[6])2(NC)2	N[6](C[6]N[6a]N[6])(P[6]N[6]NN)	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2{1|N<2>,2|N<3>}	N[6](C[6]N[6a]N[6])(P[6]N[6]NN){3|C<3>}	N(P[6]N[6]2N)(CNN)	110.7190	2.385	4	110.7190	5.689	4	110.7190	5.689	4	110.7190	5.689	4	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:3:	4:3:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C[6]-3:	P[6]-4:C-3:	P[6](N[6]C[6])2(NC)2	N[6](P[6]N[6]NN)(C[6]N[6]Cl)	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2{2|Cl<1>,1|N<2>}	N[6](P[6]N[6]NN)(C[6]N[6]Cl){1|C<3>}	N(P[6]N[6]2N)(CNN)	109.8192	3.253	4	109.8192	10.581	4	109.8192	10.581	4	109.8192	10.581	4	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6])2{1|N<3>,2|N<2>,2|O<1>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	108.6360	4.214	2	108.5785	5.694	6	110.8047	16.093	12	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6])2{2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	108.5498	1.888	4	108.5785	5.694	6	110.8047	16.093	12	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6])2{1|N<3>,2|N<2>,2|O<1>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	114.2345	6.097	2	113.0310	17.815	6	110.8047	16.093	12	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6])2{2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	112.4292	3.981	4	113.0310	17.815	6	110.8047	16.093	12	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(P[6]N[6]2N)(CC3)	108.7860	6.184	4	109.3801	28.957	12	109.7631	23.850	28	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)	109.6771	5.368	8	109.3801	28.957	12	109.7631	23.850	28	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CCHH)	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(P[6]N[6]2N)(CCHH)	109.1270	2.343	4	110.0504	21.489	16	109.7631	23.850	28	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CCHH)	P[6](N[6]P[6])2(NC)2{5|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CCHH)	110.3582	5.234	12	110.0504	21.489	16	109.7631	23.850	28	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N(P[6]N[6]2O)(CC3)	P[6](N[6]P[6])2(NC)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N(P[6]N[6]2O)(CC3)	106.4980	0.000	1	106.4980	0.000	1	109.8515	21.041	4	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(OC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N(P[6]N[6]2O)(CCHH)	P[6](N[6]P[6])2(NC)(OC){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N(P[6]N[6]2O)(CCHH)	112.8690	0.000	1	112.8690	0.000	1	109.8515	21.041	4	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(OC)	N[6](P[6]N[6]ClO)(P[6]N[6]NO)	N(P[6]N[6]2O)(CCHH)	P[6](N[6]P[6])2(NC)(OC){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]NO){1|P<4>}	N(P[6]N[6]2O)(CCHH)	105.3980	0.000	1	105.3980	0.000	1	109.8515	21.041	4	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)(OC)	N[6](P[6]N[6]NO)2	N(P[6]N[6]2O)(CC3)	P[6](N[6]P[6])2(NC)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]N[6]NO)2{1|P<4>}	N(P[6]N[6]2O)(CC3)	114.6410	0.000	1	114.6410	0.000	1	109.8515	21.041	4	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:O-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(OP[6])(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N(P[6]N[6]2O)(CCCH)	P[6](N[6]P[6])2(OP[6])(NC){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N(P[6]N[6]2O)(CCCH)	111.2680	5.281	2	111.2680	27.886	2	111.2680	27.886	2	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:S-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(SC[6a])(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NS)	N(P[6]N[6]2S)(CCHH)	P[6](N[6]P[6])2(SC[6a])(NC){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NS){1|P<4>}	N(P[6]N[6]2S)(CCHH)	110.4795	3.689	2	110.4795	13.609	2	110.4795	13.609	2	110.1234	19.956	48	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:	P[6](N[6]P[6])2(NC[6a]H)(NC[6a])	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6a]C[6a]2)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6a]H)(NC[6a]){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(C[6a]C[6a]2)(P[6]N[6]2N)	109.3070	2.338	2	109.3070	5.465	2	109.3070	5.465	2	109.3070	5.465	2	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:H-1:	P[6](N[6]P[6])2(NHH)(NH)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NHH)(NH){1|N<2>,4|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(P[6]N[6]2N)(H)	110.3000	7.402	2	110.3000	54.790	2	110.3000	54.790	2	110.3000	54.790	2	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	107.9950	8.813	2	107.9950	77.676	2	110.6613	39.065	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	106.8430	0.000	1	106.8430	0.000	1	110.6613	39.065	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	112.1205	6.763	2	113.7117	30.468	3	110.6613	39.065	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	116.8940	0.000	1	113.7117	30.468	3	110.6613	39.065	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2N)(CC3)	106.0995	0.231	2	106.0995	0.053	2	109.9988	26.967	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)	115.2650	0.467	2	111.9485	29.723	4	109.9988	26.967	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6])2(NCH)(NC){5|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)	108.6320	6.705	2	111.9485	29.723	4	109.9988	26.967	6	110.3301	30.134	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:2:1:	3:4:	4:4:	N[6]-3:N[6]-2:N-2:Cl-1:	C[6]-3:P[6]-4:	P[6]-4:P-4:	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl)	N[6](C[6]C[6a]N[6])(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(PCl3)	P[6](N[6]P[6]Ga)(N[6]C[6])(NP)(Cl){2|Cl<1>,1|C<3>,1|N<2>}	N[6](C[6]C[6a]N[6])(P[6]N[6]ClN){1|Ga<4>,1|P<4>,2|C<3>}	N(P[6]N[6]2Cl)(PCl3)	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	113.5660	0.000	1	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{2|Cl<1>,3|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	N(P[6]N[6]2N)(CC3)	112.4083	3.730	4	112.4083	13.909	4	113.0951	17.775	12	113.0951	17.775	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(P[6]N[6]2N)(CC3)	113.4108	4.507	4	113.4108	20.312	4	113.0951	17.775	12	113.0951	17.775	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-2:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CCHH)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(P[6]N[6]2N)(CCHH)	113.4663	5.478	4	113.4663	30.008	4	113.0951	17.775	12	113.0951	17.775	12	110.7998	20.096	99	110.7998	20.096	99
849	914	941	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)	121.3780	0.000	2	121.3780	0.000	2	121.3780	0.000	2	121.3780	0.000	2	110.7998	20.096	99	110.7998	20.096	99
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:2:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:O-2:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(OP[6])(NCH)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N(P[6]N[6]2O)(CCCH)(H)	P[6](N[6]P[6])2(OP[6])(NCH){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N(P[6]N[6]2O)(CCCH)(H)	111.4430	4.787	2	111.4430	22.916	2	111.4430	22.916	2	111.4430	22.916	2	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CC3)(H)	P[6](N[6]P[6])2(NCH)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CC3)(H)	110.1600	4.861	2	110.1600	23.626	2	110.1600	23.626	2	110.1600	23.626	2	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	110.4930	0.000	1	109.8907	0.421	3	110.1400	0.530	4	110.1400	0.530	4	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	109.5895	0.547	2	109.8907	0.421	3	110.1400	0.530	4	110.1400	0.530	4	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]ClN)2	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]ClN)2{1|P<4>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	110.8880	0.000	1	110.8880	0.000	1	110.1400	0.530	4	110.1400	0.530	4	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(NC[6a])	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6a]H)(NC[6a]){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	108.9335	2.706	2	108.9335	7.323	2	108.9335	7.323	2	110.1081	12.611	16	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	113.6505	0.578	2	112.1763	6.686	3	110.2759	13.745	14	110.1081	12.611	16	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,2|C<3>,2|O<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	109.2280	0.000	1	112.1763	6.686	3	110.2759	13.745	14	110.1081	12.611	16	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OC)	N[6](P[6]N[6]NO)(P[6]N[6]OO)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,2|C<3>,2|O<2>}	N[6](P[6]N[6]NO)(P[6]N[6]OO){1|P<4>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	112.2800	0.000	1	112.2800	0.000	1	110.2759	13.745	14	110.1081	12.611	16	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OC)	N[6](P[6]N[6]NO)2	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](P[6]N[6]NO)2{1|P<4>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	105.9165	0.542	2	105.9165	0.294	2	110.2759	13.745	14	110.1081	12.611	16	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(OP[6])	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	P[6](N[6]P[6])2(NC[6a]H)(OP[6]){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	110.4025	4.001	8	110.4025	16.005	8	110.2759	13.745	14	110.1081	12.611	16	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	107.7680	8.540	2	107.7680	72.939	2	110.0860	48.695	4	109.8279	28.377	8	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	112.4040	7.187	2	112.4040	51.653	2	110.0860	48.695	4	109.8279	28.377	8	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(OC)	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO)	N(P[6]N[6]2O)(CC3)(H)	P[6](N[6]P[6])2(NCH)(OC){1|O<2>,2|C<3>,2|N<2>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]NO){1|P<4>,4|C<3>}	N(P[6]N[6]2O)(CC3)(H)	114.4860	0.000	1	114.4860	0.000	1	109.5697	17.341	4	109.8279	28.377	8	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(OC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NO)	N(P[6]N[6]2O)(CCHH)(H)	P[6](N[6]P[6])2(NCH)(OC){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NO){1|P<4>}	N(P[6]N[6]2O)(CCHH)(H)	111.5170	0.000	1	111.5170	0.000	1	109.5697	17.341	4	109.8279	28.377	8	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(OC)	N[6](P[6]N[6]ClO)(P[6]N[6]NO)	N(P[6]N[6]2O)(CCHH)(H)	P[6](N[6]P[6])2(NCH)(OC){3|Cl<1>,1|N<2>,1|O<2>}	N[6](P[6]N[6]ClO)(P[6]N[6]NO){1|P<4>}	N(P[6]N[6]2O)(CCHH)(H)	106.6420	0.000	1	106.6420	0.000	1	109.5697	17.341	4	109.8279	28.377	8	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:O-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(OC)	N[6](P[6]N[6]NO)2	N(P[6]N[6]2O)(CC3)(H)	P[6](N[6]P[6])2(NCH)(OC){1|O<2>,2|C<3>,2|N<2>}	N[6](P[6]N[6]NO)2{1|P<4>}	N(P[6]N[6]2O)(CC3)(H)	105.6340	0.000	1	105.6340	0.000	1	109.5697	17.341	4	109.8279	28.377	8	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:3:	4:4:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C[6]-3:	P[6]-4:C-4:N-2:	P[6](N[6]C[6])2(NCN)2	N[6](P[6]N[6]NN)(C[6]N[6]N)	N(P[6]N[6]2N)(CH3)(NC)	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	N[6](P[6]N[6]NN)(C[6]N[6]N){1|C<3>}	N(P[6]N[6]2N)(CH3)(NC)	109.9310	4.272	4	109.9310	18.253	4	109.9310	18.253	4	109.9310	18.253	4	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	3:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6a]H)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	108.6888	4.499	19	108.6888	20.237	19	108.6888	20.237	19	108.6888	20.237	19	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|H<1>,1|P<4>,3|C<4>}	N(P[6]N[6]2N)(CC3)(H)	113.4930	0.000	1	113.4930	0.000	1	113.4930	0.000	1	108.6913	37.099	6	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	102.6140	0.000	1	102.6140	0.000	1	107.7310	39.457	5	108.6913	37.099	6	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	109.0102	6.457	4	109.0102	41.699	4	107.7310	39.457	5	108.6913	37.099	6	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:N-2:	P[6](N[6]P[6])2(NCN)2	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(P[6]N[6]2N)(CH3)(NC)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(P[6]N[6]2N)(CH3)(NC)	109.4511	3.471	7	109.4511	12.048	7	109.2047	9.953	11	109.2047	9.953	11	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:N-2:	P[6](N[6]P[6])2(NCN)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CH3)(NC)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CH3)(NC)	108.7735	2.948	4	108.7735	8.691	4	109.2047	9.953	11	109.2047	9.953	11	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:3:	N[6]-2:N[6]-2:N-3:N-3:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:C-3:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N(P[6]N[6]2N)(CH3)(CHH)	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|P<4>,2|C<4>,3|H<1>}	N(P[6]N[6]2N)(CH3)(CHH)	108.5350	0.000	1	108.5350	0.000	1	108.5350	0.000	1	110.8035	10.292	2	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:3:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-3:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CH3)(CHH)	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	N[6](P[6]N[6]NN)2{1|H<1>,1|P<4>}	N(P[6]N[6]2N)(CH3)(CHH)	113.0720	0.000	1	113.0720	0.000	1	113.0720	0.000	1	110.8035	10.292	2	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:2:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	108.6700	0.000	2	108.6700	0.000	2	108.6700	0.000	2	108.6700	0.000	2	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:3:	4:4:	4:3:2:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-3:C-2:	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CHH)(CH)	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|H<1>,1|P<4>}	N(P[6]N[6]2N)(CHH)(CH)	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	110.8220	0.000	1	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	111.8090	0.000	1	111.8090	0.000	1	114.8830	4.779	7	113.9885	9.353	11	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	117.7530	0.000	2	115.3953	3.530	6	114.8830	4.779	7	113.9885	9.353	11	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|N<2>,3|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	114.2165	0.570	4	115.3953	3.530	6	114.8830	4.779	7	113.9885	9.353	11	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP2	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CCCH)(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>,2|H<1>}	N(P[6]N[6]2N)(CCCH)(H)	112.4230	4.060	4	112.4230	16.483	4	112.4230	16.483	4	113.9885	9.353	11	110.0679	16.995	88	110.0679	16.995	88
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:3:1:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C[6a]-3:H-1:	P[6](N[6]P[6])2(NC[6a]H)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	P[6](N[6]P[6])2(NC[6a]H)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	108.9890	3.063	2	108.9890	9.383	2	108.9890	9.383	2	108.9890	9.383	2	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl)	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]ClN){1|P<4>,2|C<4>}	N(P[6]N[6]2Cl)(CCHH)(H)	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.5250	0.004	2	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CCHH)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CCHH)(H)	109.5710	0.000	1	109.5710	0.000	1	109.5710	0.000	1	109.5250	0.004	2	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl)	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CH3)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6,6]N[6]O[6]2)(P[6]N[6]ClN){1|P<4>,2|C<4>}	N(P[6]N[6]2Cl)(CH3)2	109.6907	0.611	12	109.6907	0.373	12	109.6907	0.373	12	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl)	N[6](P[6]N[6]ClN)2	N(P[6]N[6]2Cl)(CH3)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	N[6](P[6]N[6]ClN)2{1|P<4>}	N(P[6]N[6]2Cl)(CH3)2	110.2061	0.717	12	110.2061	0.514	12	110.2108	0.919	18	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](P[6]C[6a]2N[6])(P[6]N[6]ClN){1|P<4>,4|C<3>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	111.6450	0.547	2	111.6450	0.300	2	110.2108	0.919	18	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN)	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClN){1|P<4>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	108.9020	0.000	1	108.9020	0.000	1	110.2108	0.919	18	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]ClN)2	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](P[6]N[6]ClN)2{1|P<4>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	109.0345	0.599	2	109.7097	1.547	3	110.2108	0.919	18	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(Cl)	N[6](P[6]N[6]ClN)2	N(P[6]N[6]2Cl)(CC[6a]HH)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	N[6](P[6]N[6]ClN)2{1|P<4>}	N(P[6]N[6]2Cl)(CC[6a]HH)2	111.0600	0.000	1	109.7097	1.547	3	110.2108	0.919	18	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:Si-4:C-4:	P[6](N[6]P[6])2(NSiC)(Cl)	N[6](P[6]N[6]ClN)(P[6]N[6]NN)	N(P[6]N[6]2Cl)(SiC3)(CH3)	P[6](N[6]P[6])2(NSiC)(Cl){1|Cl<1>,1|N<2>,3|N<3>}	N[6](P[6]N[6]ClN)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2Cl)(SiC3)(CH3)	111.6260	0.000	1	111.6260	0.000	1	110.2320	3.886	2	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:1:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:Si-4:C-4:	P[6](N[6]P[6])2(NSiC)(Cl)	N[6](P[6]N[6]ClN)2	N(P[6]N[6]2Cl)(SiC3)(CH3)	P[6](N[6]P[6])2(NSiC)(Cl){1|Cl<1>,1|N<2>,3|N<3>}	N[6](P[6]N[6]ClN)2{1|P<4>}	N(P[6]N[6]2Cl)(SiC3)(CH3)	108.8380	0.000	1	108.8380	0.000	1	110.2320	3.886	2	110.0171	0.828	32	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:2:	4:4:	4:1:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:H-1:H-1:	P[6](N[6]P[6])2(NHH)(NH)	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(P[6]N[6]2N)(H)2	P[6](N[6]P[6])2(NHH)(NH){1|N<2>,4|O<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(P[6]N[6]2N)(H)2	110.6520	8.205	2	110.6520	67.326	2	110.6520	67.326	2	110.6520	67.326	2	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)(P[6]N[6]OO)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)(P[6]N[6]OO){1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	110.3900	0.000	1	110.3900	0.000	1	110.1325	0.133	2	109.6912	14.027	8	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	109.8750	0.000	1	109.8750	0.000	1	110.1325	0.133	2	109.6912	14.027	8	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	113.4140	0.020	2	113.4140	0.000	2	109.5442	19.507	6	109.6912	14.027	8	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	104.7730	0.700	2	107.6093	17.536	4	109.5442	19.507	6	109.6912	14.027	8	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(NC)	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)(NC){5|N<2>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	110.4455	4.465	2	107.6093	17.536	4	109.5442	19.507	6	109.6912	14.027	8	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:3:	4:3:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C[6]-3:	P[6]-4:N-3:C-4:	P[6](N[6]C[6])2(NCN)2	N[6](P[6]N[6]NN)(C[6]N[6]N)	N(P[6]N[6]2N)(NCuC)(CH3)	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	N[6](P[6]N[6]NN)(C[6]N[6]N){1|C<3>}	N(P[6]N[6]2N)(NCuC)(CH3)	109.3875	2.679	4	109.3875	7.178	4	109.3875	7.178	4	109.3875	7.178	4	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:2:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6,6]-4:P[6]-4:	P[6]-4:C-2:C-2:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N(P[6]N[6]2N)(CH)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|P<4>,2|C<4>,3|H<1>}	N(P[6]N[6]2N)(CH)2	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	109.0925	16.861	2	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:2:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-2:C-2:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CH)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	N[6](P[6]N[6]NN)2{1|H<1>,1|P<4>}	N(P[6]N[6]2N)(CH)2	106.1890	0.000	1	106.1890	0.000	1	106.1890	0.000	1	109.0925	16.861	2	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6,6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N[6](P[6,6]N[6]3)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N[6](P[6,6]N[6]3)(P[6]N[6]NN){1|H<1>,1|P<4>,3|C<4>}	N(P[6]N[6]2N)(CC3)(H)	109.4394	5.200	7	109.4394	27.037	7	109.4394	27.037	7	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	108.9360	2.434	8	109.5566	15.479	16	109.5566	15.479	16	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)2{5|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	110.1773	5.135	8	109.5566	15.479	16	109.5566	15.479	16	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	109.7141	6.241	7	109.7141	38.947	7	109.8638	27.652	21	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCC)(NCH)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(P[6]N[6]2N)(CCHH)(H)	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2N)(CCHH)(H)	109.7515	6.591	2	109.7515	43.441	2	109.8638	27.652	21	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)2	N[6](P[6]N[5a]N[5]N[6])(P[6]N[6]NN)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)2{5|N<3>}	N[6](P[6]N[5a]N[5]N[6])(P[6]N[6]NN){1|Co<5>,1|N<2>,1|N<3>,1|P<4>,2|C<3>}	N(P[6]N[6]2N)(CC3)(H)	110.0763	6.283	4	110.0763	39.478	4	109.8638	27.652	21	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CC3)(H)	109.9165	4.737	8	109.9165	22.443	8	109.8638	27.652	21	109.6846	22.065	44	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:3:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:N-3:	P[6](N[6]P[6])2(NCN)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CH3)(NHH)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>}	N(P[6]N[6]2N)(CH3)(NHH)	108.6766	3.143	12	108.6766	9.876	12	108.6766	9.876	12	108.6766	9.876	12	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)(NCH)	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	110.6525	6.970	2	110.6525	48.580	2	110.3637	20.143	10	110.0700	21.933	12	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)2	N[6](P[6]N[5]2N[6])(P[6]N[6]NN)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	P[6](N[6]P[6])2(NCC)2{1|N<2>,4|N<3>}	N[6](P[6]N[5]2N[6])(P[6]N[6]NN){1|P<4>,4|C<4>}	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	110.4922	4.670	4	110.4922	21.807	4	110.3637	20.143	10	110.0700	21.933	12	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	P[6](N[6]P[6])2(NCC)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	110.0907	4.717	4	110.0907	22.253	4	110.3637	20.143	10	110.0700	21.933	12	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	2:2:3:3:	4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:Si-4:C-4:	P[6](N[6]P[6])2(NSiC)2	N[6](P[6]N[6]ClN)(P[6]N[6]NN)	N(P[6]N[6]2N)(SiC3)(CH3)	P[6](N[6]P[6])2(NSiC)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6]N[6]ClN)(P[6]N[6]NN){1|P<4>}	N(P[6]N[6]2N)(SiC3)(CH3)	108.6015	7.403	2	108.6015	54.800	2	108.6015	54.800	2	110.0700	21.933	12	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]Cl2)(P[6]N[6]NN)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	N[6](P[6]N[6]Cl2)(P[6]N[6]NN){1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	114.4110	3.469	3	114.4110	12.031	3	111.1773	13.162	7	111.4823	13.722	11	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	108.8040	0.000	2	108.8040	0.000	2	111.1773	13.162	7	111.4823	13.722	11	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H)	N[6](P[6]N[6]NN)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H){1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|C<4>,1|P<4>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	108.7000	0.000	2	108.7000	0.000	2	111.1773	13.162	7	111.4823	13.722	11	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CCCH)(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	N[6](P[6]N[6]NN)2{1|P<4>,2|H<1>}	N(P[6]N[6]2N)(CCCH)(H)	112.0160	4.338	4	112.0160	18.820	4	112.0160	18.820	4	111.4823	13.722	11	109.8905	13.484	132	109.8905	13.484	132
849	914	956	0:SP3_SP2_SP3	P[6]	N[6]	N	3:2:3:3:	4:4:	4:4:2:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:P[6]-4:	P[6]-4:C-4:C-2:	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2	N[6](P[6]N[6]NN)2	N(P[6]N[6]2N)(CH3)(CH)	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2{1|N<2>,4|N<3>}	N[6](P[6]N[6]NN)2{1|H<1>,1|P<4>}	N(P[6]N[6]2N)(CH3)(CH)	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	109.8905	13.484	132	109.8905	13.484	132
849	914	975	6:SP3_SP2_SP3	P[6]	N[6]	Se[6]	2:3:3:2:	4:4:	4:4:	Se[6]-2:C[6a]-3:C[6a]-3:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:Ga[6,6]-4:	P[6](Se[6]Ga[6,6])(C[6a]C[6a]2)2(N[6]P[6])	N[6](P[6]C[6a]2Se[6])2	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3)	P[6](Se[6]Ga[6,6])(C[6a]C[6a]2)2(N[6]P[6]){3|Se<2>,4|H<1>,6|C<3>}	N[6](P[6]C[6a]2Se[6])2{1|Ga<4>,8|C<3>}	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3){3|P<4>,4|C<3>}	115.7002	0.969	8	115.7002	0.939	8	115.7002	0.939	8	115.7002	0.939	8	115.7324	0.739	10	115.7324	0.739	10
849	914	975	6:SP3_SP2_SP3	P[6]	N[6]	Se[6]	3:3:2:2:	4:4:	4:2:	C[6a]-3:C[6a]-3:Se[6]-2:N[6]-2:	P[6]-4:P[6]-4:	P[6]-4:Se[6]-2:	P[6](C[6a]C[6a]2)2(Se[6]Se[6])(N[6]P[6])	N[6](P[6]C[6a]2Se[6])2	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6])	P[6](C[6a]C[6a]2)2(Se[6]Se[6])(N[6]P[6]){1|Se<2>,4|H<1>,6|C<3>}	N[6](P[6]C[6a]2Se[6])2{1|Se<2>,8|C<3>}	Se[6](P[6]C[6a]2N[6])(Se[6]Se[6]){1|P<4>,4|C<3>}	115.8610	0.191	2	115.8610	0.036	2	115.8610	0.036	2	115.8610	0.036	2	115.7324	0.739	10	115.7324	0.739	10
849	914	977	0:SP3_SP-NON_SP2	P[6,6]	N[6]	S	3:2:2:1:	4:3:	4:	C[6,6a]-3:S[6,6]-2:N[6]-2:S-1:	P[6,6]-4:C[6]-3:	P[6,6]-4:	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S)	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)	S(P[6,6]C[6,6a]S[6,6]N[6])	P[6,6](C[6,6a]C[6,6a,6a]C[6a])(S[6,6]P[6,6])(N[6]C[6])(S){1|C<4>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C){1|C<4>,1|P<4>,2|C<3>}	S(P[6,6]C[6,6a]S[6,6]N[6])	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1
849	914	983	0:SP3_SP1_SP2	P[6]	N[6]	C	2:2:2:1:	4:4:	4:2:	N[6]-2:N[6]-2:C-2:Cl-1:	P[6]-4:P[6]-4:	P[6]-4:C-2:	P[6](N[6]P[6])2(CC)(Cl)	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC)	C(P[6]N[6]2Cl)(CC[5])	P[6](N[6]P[6])2(CC)(Cl){4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]ClC){1|P<4>}	C(P[6]N[6]2Cl)(CC[5])	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	111.0027	0.563	3	110.2829	1.283	7	110.2829	1.283	7
849	914	983	0:SP3_SP1_SP2	P[6]	N[6]	C	2:2:2:1:	4:4:	4:2:	N[6]-2:N[6]-2:C-2:F-1:	P[6]-4:P[6]-4:	P[6]-4:C-2:	P[6](N[6]P[6])2(CC)(F)	N[6](P[6]N[6]CF)(P[6]N[6]FF)	C(P[6]N[6]2F)(CC[5])	P[6](N[6]P[6])2(CC)(F){1|N<2>,4|F<1>}	N[6](P[6]N[6]CF)(P[6]N[6]FF){1|P<4>}	C(P[6]N[6]2F)(CC[5])	111.1985	0.947	2	111.1985	0.896	2	111.1985	0.896	2	111.0027	0.563	3	110.2829	1.283	7	110.2829	1.283	7
849	914	983	0:SP3_SP1_SP2	P[6]	N[6]	C	2:2:2:2:	4:4:	4:2:	N[6]-2:N[6]-2:C-2:C-2:	P[6]-4:P[6]-4:	P[6]-4:C-2:	P[6](N[6]P[6])2(CC)2	N[6](P[6]N[6]Cl2)(P[6]N[6]CC)	C(P[6]N[6]2C)(CC[5])	P[6](N[6]P[6])2(CC)2{4|Cl<1>,1|N<2>}	N[6](P[6]N[6]Cl2)(P[6]N[6]CC){1|P<4>}	C(P[6]N[6]2C)(CC[5])	109.0710	1.418	2	109.0710	2.012	2	109.0710	2.012	2	109.0710	2.012	2	110.2829	1.283	7	110.2829	1.283	7
849	914	983	0:SP3_SP1_SP2	P[6]	N[6]	C	3:2:2:2:	4:4:	4:2:	C[5a]-3:N[6]-2:N[6]-2:C-2:	P[6]-4:P[6]-4:	P[6]-4:C-2:	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(CC)	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2)	C(P[6]C[5a]N[6]2)(CC[5])	P[6](C[5a]C[5a]N[5a])(N[6]P[6])2(CC){4|Cl<1>,2|C<4>,3|N<2>}	N[6](P[6]C[5a]N[6]C)(P[6]N[6]Cl2){1|C<3>,1|N<3>,1|P<4>}	C(P[6]C[5a]N[6]2)(CC[5])	110.4150	0.182	2	110.4150	0.033	2	110.4150	0.033	2	110.4150	0.033	2	110.2829	1.283	7	110.2829	1.283	7
849	921	977	0:SP3_SP-NON_SP3	P[6]	Se	S	2:2:2:1:	3:4:	4:	O[6]-2:O[6]-2:Se-2:S-1:	C[6a]-3:P[6]-4:	P[6]-4:	P[6](O[6]C[6])2(SeC[6a])(S)	Se(C[6a]C[6a]2)(P[6]O[6]2S)	S(P[6]O[6]2Se)	P[6](O[6]C[6])2(SeC[6a])(S){1|C<4>,4|H<1>}	Se(C[6a]C[6a]2)(P[6]O[6]2S)	S(P[6]O[6]2Se)	116.8034	1.040	8	116.8034	1.081	8	116.8034	1.081	8	116.7379	0.985	9	116.7379	0.985	9	116.7379	0.985	9
849	921	977	0:SP3_SP-NON_SP3	P[6]	Se	S	2:2:2:1:	3:4:	4:	S[6]-2:S[6]-2:Se-2:S-1:	C[6a]-3:P[6]-4:	P[6]-4:	P[6](S[6]C[6])2(SeC[6a])(S)	Se(C[6a]C[6a]2)(P[6]S[6]2S)	S(P[6]S[6]2Se)	P[6](S[6]C[6])2(SeC[6a])(S){1|C<4>,4|H<1>}	Se(C[6a]C[6a]2)(P[6]S[6]2S)	S(P[6]S[6]2Se)	116.2140	0.000	1	116.2140	0.000	1	116.2140	0.000	1	116.7379	0.985	9	116.7379	0.985	9	116.7379	0.985	9
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:3:	4:3:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C-3:	P[6]-4:C-3:	P[6](N[6]C[6])2(NC)2	N(P[6]N[6]2N)(CNN)	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2{1|N<2>,2|N<3>}	N(P[6]N[6]2N)(CNN)	N(P[6]N[6]2N)(CNN)	107.6770	0.000	1	109.3895	5.865	2	109.3895	5.865	2	109.3895	5.865	2	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:3:	4:3:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C-3:	P[6]-4:C-3:	P[6](N[6]C[6])2(NC)2	N(P[6]N[6]2N)(CNN)	N(P[6]N[6]2N)(CNN)	P[6](N[6]C[6])2(NC)2{2|Cl<1>,1|N<2>}	N(P[6]N[6]2N)(CNN)	N(P[6]N[6]2N)(CNN)	111.1020	0.000	1	109.3895	5.865	2	109.3895	5.865	2	109.3895	5.865	2	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	C[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6])2{1|N<3>,2|N<2>,2|O<1>}	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)	102.8520	0.000	1	104.2893	1.639	3	104.2893	1.639	3	102.7423	8.304	10	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	C[6]-4:P[6]-4:	C[6]-4:P[6]-4:	P[6](N[6]P[6])2(NC[6])2	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)	P[6](N[6]P[6])2(NC[6])2{2|O<1>,3|N<2>}	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)	105.0080	0.424	2	104.2893	1.639	3	104.2893	1.639	3	102.7423	8.304	10	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)	103.1750	2.560	3	103.1750	6.552	3	102.0793	10.201	7	102.7423	8.304	10	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2N)(CCHH)	P[6](N[6]P[6])2(NC)2{1|N<3>,4|N<2>}	N(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2N)(CCHH)	106.3930	0.000	1	101.2576	13.933	4	102.0793	10.201	7	102.7423	8.304	10	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:2:2:2:	4:4:	4:4:	N[6]-2:N[6]-2:N-2:N-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6])2(NC)2	N(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2N)(CCHH)	P[6](N[6]P[6])2(NC)2{5|N<2>}	N(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2N)(CCHH)	99.5458	1.822	3	101.2576	13.933	4	102.0793	10.201	7	102.7423	8.304	10	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	2:3:2:2:	4:4:	4:4:	O[6]-2:N[6]-3:N-2:N-2:	P[6]-4:P-4:	P[6]-4:P[6]-4:	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP)	N(P[6]N[6]O[6]N)(PCl2N)	N(P[6]N[6]O[6]N)2	P[6](O[6]C[6,6a])(N[6]C[6]C)(NP[6])(NP){2|C<3>,2|H<1>}	N(P[6]N[6]O[6]N)(PCl2N)	N(P[6]N[6]O[6]N)2	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-2:N-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{2|Cl<1>,3|N<2>}	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)	107.3040	0.416	2	106.3628	3.336	4	105.5953	5.840	6	107.2376	23.746	7	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-2:N-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)	105.4215	2.508	2	106.3628	3.336	4	105.5953	5.840	6	107.2376	23.746	7	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	3:2:2:2:	4:4:	4:4:	N[6]-3:N[6]-2:N-2:N-2:	P[6]-4:C-4:	P[6]-4:C-4:	P[6](N[6]P[6]C)(N[6]P[6])(NC)2	N(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2N)(CCHH)	P[6](N[6]P[6]C)(N[6]P[6])(NC)2{5|N<2>}	N(P[6]N[6]2N)(CCHH)	N(P[6]N[6]2N)(CCHH)	104.0605	3.483	2	104.0605	12.128	2	105.5953	5.840	6	107.2376	23.746	7	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	3:2:2:2:	4:4:	4:4:	N[6]-3:O[6]-2:N-2:N-2:	P[6]-4:P-4:	P[6]-4:P-4:	P[6](N[6]C[6]C)(O[6]C[6])(NP)2	N(P[6]N[6]O[6]N)(PCl2N)	N(P[6]N[6]O[6]N)(PCl2N)	P[6](N[6]C[6]C)(O[6]C[6])(NP)2{1|C<4>,4|H<1>}	N(P[6]N[6]O[6]N)(PCl2N)	N(P[6]N[6]O[6]N)(PCl2N)	117.0910	0.000	1	117.0910	0.000	1	117.0910	0.000	1	107.2376	23.746	7	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N-2:N-2:	P[6]-4:P-4:	P[6]-4:P-4:	P[6](N[6]C[6]C)2(NP)2	N(P[6]N[6]2N)(PCl2N)	N(P[6]N[6]2N)(PCl2N)	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	N(P[6]N[6]2N)(PCl2N)	N(P[6]N[6]2N)(PCl2N)	114.4763	2.140	3	114.4763	4.578	3	113.9670	4.089	4	113.9670	4.089	4	106.9473	29.199	24	106.9473	29.199	24
849	941	941	0:SP3_SP2_SP2	P[6]	N	N	3:3:2:2:	4:4:	4:4:	N[6]-3:N[6]-3:N-2:N-2:	P[6]-4:P-4:	P[6]-4:P-4:	P[6](N[6]C[6]C)2(NP)2	N(P[6]N[6]2N)(PClNO)	N(P[6]N[6]2N)(PClNO)	P[6](N[6]C[6]C)2(NP)2{1|C<4>,4|H<1>}	N(P[6]N[6]2N)(PClNO)	N(P[6]N[6]2N)(PClNO)	112.4390	0.000	1	112.4390	0.000	1	113.9670	4.089	4	113.9670	4.089	4	106.9473	29.199	24	106.9473	29.199	24
849	941	956	0:SP3_SP2_SP2	P[6]	N	N	2:2:3:2:	3:4:	3:4:1:	N[6]-2:N[6]-2:N-3:N-2:	C[6a]-3:P[6]-4:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(P[6]N[6]2N)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6a]H)(NC[6a]){4|Cl<1>,1|N<2>}	N(C[6a]C[6a]2)(P[6]N[6]2N)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	105.7400	0.000	1	102.4347	5.334	4	102.4347	5.334	4
849	941	956	0:SP3_SP2_SP2	P[6]	N	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	C[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	102.4347	5.334	4	102.4347	5.334	4
849	941	956	0:SP3_SP2_SP2	P[6]	N	N	3:2:3:2:	4:4:	4:4:1:	N[6]-3:N[6]-2:N-3:N-2:	C[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	100.8440	0.000	2	100.8440	0.000	2	100.8440	0.000	2	100.8440	0.000	2	102.4347	5.334	4	102.4347	5.334	4
849	941	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:2:	4:1:	4:1:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:H-1:	P[6]-4:H-1:H-1:	P[6](N[6]P[6])2(NHH)(NH)	N(P[6]N[6]2N)(H)	N(P[6]N[6]2N)(H)2	P[6](N[6]P[6])2(NHH)(NH){1|N<2>,4|O<2>}	N(P[6]N[6]2N)(H)	N(P[6]N[6]2N)(H)2	101.4680	0.000	1	101.4680	0.000	1	101.4680	0.000	1	101.4680	0.000	1	102.4096	0.704	5	102.4096	0.704	5
849	941	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	C[6]-4:P[6]-4:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	N(C[6]C[6]2H)(P[6]N[6]2N)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	102.6450	0.569	4	102.4096	0.704	5	102.4096	0.704	5
849	941	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:C-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(NC)	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)(H)	102.4960	0.187	2	102.2987	0.134	3	102.2987	0.134	3	102.6450	0.569	4	102.4096	0.704	5	102.4096	0.704	5
849	941	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:2:	4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-2:	P[6]-4:C-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)(NC)	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)(NC){5|N<2>}	N(P[6]N[6]2N)(CC3)	N(P[6]N[6]2N)(CC3)(H)	101.9040	0.000	1	102.2987	0.134	3	102.2987	0.134	3	102.6450	0.569	4	102.4096	0.704	5	102.4096	0.704	5
849	941	977	0:SP3_SP-NON_SP2	P[6]	N	S	2:2:2:1:	4:4:	4:	O[6]-2:O[6]-2:N-2:S-1:	P[6]-4:C-4:	P[6]-4:	P[6](O[6]C[6])2(NC)(S)	N(P[6]O[6]2S)(CC[6a]CH)	S(P[6]O[6]2N)	P[6](O[6]C[6])2(NC)(S){2|H<1>,3|C<4>}	N(P[6]O[6]2S)(CC[6a]CH)	S(P[6]O[6]2N)	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1
849	945	956	0:SP3_SP2_SP3	P[6,6]	P	N	4:4:3:3:	4:3:3:	4:4:1:	C[6,6]-4:C[6,6]-4:P-3:N-3:	P[6,6]-4:C[6a]-3:C[6a]-3:	P[6,6]-4:C-4:H-1:	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH)	P(P[6,6]C[6,6]2N)(C[6a]C[6a]2)2	N(P[6,6]C[6,6]2P)(CCCH)(H)	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH){2|C<4>,8|H<1>}	P(P[6,6]C[6,6]2N)(C[6a]C[6a]2)2	N(P[6,6]C[6,6]2P)(CCCH)(H)	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1
849	956	956	0:SP3_SP2_SP2	P[6]	N	N	2:2:3:3:	3:4:1:	3:4:1:	N[6]-2:N[6]-2:N-3:N-3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6a]H)2	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6a]H)2{4|Cl<1>,1|N<2>}	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	106.0742	1.691	5	106.0742	2.858	5	106.0742	2.858	5	106.0742	2.858	5	104.2506	4.600	11	104.2506	4.600	11
849	956	956	0:SP3_SP2_SP2	P[6]	N	N	2:2:3:3:	4:4:2:	4:4:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:N-2:	P[6]-4:C-4:N-2:	P[6](N[6]C[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NC)	N(P[6]N[6]2N)(CH3)(NC)	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	N(P[6]N[6]2N)(CH3)(NC)	N(P[6]N[6]2N)(CH3)(NC)	102.1160	0.000	1	102.1160	0.000	1	103.1170	0.764	4	103.1170	0.764	4	104.2506	4.600	11	104.2506	4.600	11
849	956	956	0:SP3_SP2_SP2	P[6]	N	N	2:2:3:3:	4:4:2:	4:4:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:N-2:	P[6]-4:C-4:N-2:	P[6](N[6]P[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NC)	N(P[6]N[6]2N)(CH3)(NC)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CH3)(NC)	N(P[6]N[6]2N)(CH3)(NC)	103.4840	0.000	1	103.4507	0.478	3	103.1170	0.764	4	103.1170	0.764	4	104.2506	4.600	11	104.2506	4.600	11
849	956	956	0:SP3_SP2_SP2	P[6]	N	N	2:2:3:3:	4:4:2:	4:4:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:N-2:	P[6]-4:C-4:N-2:	P[6](N[6]P[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NC)	N(P[6]N[6]2N)(CH3)(NC)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|O<2>}	N(P[6]N[6]2N)(CH3)(NC)	N(P[6]N[6]2N)(CH3)(NC)	103.4340	0.977	2	103.4507	0.478	3	103.1170	0.764	4	103.1170	0.764	4	104.2506	4.600	11	104.2506	4.600	11
849	956	956	0:SP3_SP2_SP2	P[6]	N	N	3:2:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|N<2>,3|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	101.9590	0.000	2	101.9590	0.000	2	101.9590	0.000	2	101.9590	0.000	2	104.2506	4.600	11	104.2506	4.600	11
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	102.7630	0.000	1	102.7630	0.000	1	102.0677	0.375	3	102.0677	0.375	3	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)2	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	101.7200	0.156	2	101.7200	0.024	2	102.0677	0.375	3	102.0677	0.375	3	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	2:2:3:3:	4:4:3:	4:2:2:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:C-3:	P[6]-4:C-2:C-2:	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N(P[6]N[6]2N)(CH3)(CHH)	N(P[6]N[6]2N)(CH)2	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	N(P[6]N[6]2N)(CH3)(CHH)	N(P[6]N[6]2N)(CH)2	103.4420	0.000	1	103.4420	0.000	1	103.4420	0.000	1	103.4420	0.000	1	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	3:2:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	101.4900	0.000	2	101.7287	0.171	3	101.7287	0.171	3	104.4366	6.692	7	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	3:2:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	102.2060	0.000	1	101.7287	0.171	3	101.7287	0.171	3	104.4366	6.692	7	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	3:2:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CCCH)(H)	N(P[6]N[6]2N)(CCCH)(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	N(P[6]N[6]2N)(CCCH)(H)	N(P[6]N[6]2N)(CCCH)(H)	106.4675	0.661	4	106.4675	0.437	4	106.4675	0.437	4	104.4366	6.692	7	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP2_SP3	P[6]	N	N	3:2:3:3:	4:4:2:	4:3:2:	N[6]-3:N[6]-2:N-3:N-3:	P[6]-4:C-4:C-2:	P[6]-4:C-3:C-2:	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2	N(P[6]N[6]2N)(CH3)(CH)	N(P[6]N[6]2N)(CHH)(CH)	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CH3)(CH)	N(P[6]N[6]2N)(CHH)(CH)	104.2780	0.000	1	104.2780	0.000	1	104.2780	0.000	1	104.2780	0.000	1	103.7482	4.824	12	103.7482	4.824	12
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:3:4:	4:3:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:N-3:C-4:	P[6]-4:N-3:C-4:	P[6](N[6]C[6])2(NCN)2	N(P[6]N[6]2N)(NCuC)(CH3)	N(P[6]N[6]2N)(NCuC)(CH3)	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	N(P[6]N[6]2N)(NCuC)(CH3)	N(P[6]N[6]2N)(NCuC)(CH3)	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	105.2700	0.000	1	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)2{1|N<2>,4|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	107.4500	0.000	2	103.9010	16.794	4	103.9010	16.794	4	103.5443	8.280	9	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6])2(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6])2(NC[6]H)2{5|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	100.3520	0.000	2	103.9010	16.794	4	103.9010	16.794	4	103.5443	8.280	9	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	102.9723	1.755	3	102.9723	3.079	3	103.2590	3.736	5	103.5443	8.280	9	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)2	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	101.6680	0.000	1	103.6890	8.169	2	103.2590	3.736	5	103.5443	8.280	9	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:1:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCH)2	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	P[6](N[6]P[6])2(NCH)2{5|N<3>}	N(P[6]N[6]2N)(CC3)(H)	N(P[6]N[6]2N)(CC3)(H)	105.7100	0.000	1	103.6890	8.169	2	103.2590	3.736	5	103.5443	8.280	9	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:3:	4:4:3:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:N-3:	P[6]-4:C-4:N-3:	P[6](N[6]P[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NHH)	N(P[6]N[6]2N)(CH3)(NHH)	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CH3)(NHH)	N(P[6]N[6]2N)(CH3)(NHH)	104.1507	3.136	3	104.1507	9.836	3	104.1507	9.836	3	104.1507	9.836	3	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:4:	4:4:1:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:C-4:	P[6]-4:C-4:H-1:	P[6](N[6]P[6])2(NCC)(NCH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	N(P[6]N[6]2N)(CCHH)(H)	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	N(P[6]N[6]2N)(CCHH)(H)	102.6680	0.000	1	102.6680	0.000	1	102.6680	0.000	1	102.6680	0.000	1	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:C-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	P[6](N[6]P[6])2(NCC)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	98.9497	0.000	1	101.0524	8.842	2	101.0524	8.842	2	103.0989	16.986	3	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:C-4:C-4:	P[6]-4:C-4:C-4:	P[6](N[6]P[6])2(NCC)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	P[6](N[6]P[6])2(NCC)2{4|Cl<1>,1|N<2>}	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	103.1550	0.000	1	101.0524	8.842	2	101.0524	8.842	2	103.0989	16.986	3	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	2:2:3:3:	4:4:4:	4:4:4:	N[6]-2:N[6]-2:N-3:N-3:	P[6]-4:Si-4:C-4:	P[6]-4:Si-4:C-4:	P[6](N[6]P[6])2(NSiC)2	N(P[6]N[6]2N)(SiC3)(CH3)	N(P[6]N[6]2N)(SiC3)(CH3)	P[6](N[6]P[6])2(NSiC)2{2|Cl<1>,1|N<2>,2|N<3>}	N(P[6]N[6]2N)(SiC3)(CH3)	N(P[6]N[6]2N)(SiC3)(CH3)	107.1920	0.000	1	107.1920	0.000	1	107.1920	0.000	1	103.0989	16.986	3	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	3:2:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-2:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	102.4270	0.000	1	102.4270	0.000	1	102.4270	0.000	1	102.4270	0.000	1	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	3:3:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-3:N-3:N-3:	C[6]-4:P[6]-4:H-1:	C[6]-4:P[6]-4:H-1:	P[6](N[6]P[6]Sb)2(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	P[6](N[6]P[6]Sb)2(NC[6]H)2{1|N<2>,4|N<3>}	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	105.6520	0.000	1	105.6520	0.000	1	105.6520	0.000	1	107.0813	1.532	3	104.0598	8.080	21	104.0598	8.080	21
849	956	956	0:SP3_SP3_SP3	P[6]	N	N	3:3:3:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-3:N-3:N-3:	P[6]-4:C-4:H-1:	P[6]-4:C-4:H-1:	P[6](N[6]P[6]H)2(NCH)2	N(P[6]N[6]2N)(CCCH)(H)	N(P[6]N[6]2N)(CCCH)(H)	P[6](N[6]P[6]H)2(NCH)2{1|N<2>,4|N<3>}	N(P[6]N[6]2N)(CCCH)(H)	N(P[6]N[6]2N)(CCCH)(H)	107.7960	0.000	2	107.7960	0.000	2	107.7960	0.000	2	107.0813	1.532	3	104.0598	8.080	21	104.0598	8.080	21
849	956	977	0:SP3_SP-NON_SP2	P[6]	N	S	2:2:3:1:	4:4:1:	4:	O[6]-2:O[6]-2:N-3:S-1:	P[6]-4:C-4:H-1:	P[6]-4:	P[6](O[6]C[6])2(NCH)(S)	N(P[6]O[6]2S)(CCHH)(H)	S(P[6]O[6]2N)	P[6](O[6]C[6])2(NCH)(S){1|C<4>,4|H<1>}	N(P[6]O[6]2S)(CCHH)(H)	S(P[6]O[6]2N)	114.1610	0.525	2	114.1610	0.275	2	114.1610	0.275	2	114.1610	0.275	2	114.1610	0.275	2	114.1610	0.275	2
849	956	977	0:SP3_SP-NON_SP3	P[6]	N	S	2:2:3:1:	4:4:1:	4:	O[6]-2:O[6]-2:N-3:S-1:	P[6]-4:C-4:H-1:	P[6]-4:	P[6](O[6]C[6])2(NCH)(S)	N(P[6]O[6]2S)(CC[6a]HH)(H)	S(P[6]O[6]2N)	P[6](O[6]C[6])2(NCH)(S){1|C<3>,1|C<4>,3|H<1>}	N(P[6]O[6]2S)(CC[6a]HH)(H)	S(P[6]O[6]2N)	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	114.7535	0.209	2	114.7535	0.209	2
849	956	977	0:SP3_SP-NON_SP3	P[6]	N	S	3:2:3:1:	4:4:4:	4:	C[6,6a]-3:S[6]-2:N-3:S-1:	P[6]-4:Si-4:C-4:	P[6]-4:	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S)	N(P[6]C[6,6a]S[6]S)(SiC3)(CH3)	S(P[6]C[6,6a]S[6]N)	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	N(P[6]C[6,6a]S[6]S)(SiC3)(CH3)	S(P[6]C[6,6a]S[6]N)	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	114.7535	0.209	2	114.7535	0.209	2
849	975	975	6:SP3_SP3_SP3	P[6]	Se[6]	Se[6]	2:2:1:1:	4:2:	4:2:	Se[6]-2:Se[6]-2:Se-1:Se-1:	P[6]-4:Se[6]-2:	P[6]-4:Se[6]-2:	P[6](Se[6]Se[6])2(Se)2	Se[6](P[6]Se[6]Se2)(Se[6]P[6])	Se[6](P[6]Se[6]Se2)(Se[6]P[6])	P[6](Se[6]Se[6])2(Se)2{1|P<4>}	Se[6](P[6]Se[6]Se2)(Se[6]P[6]){1|Se<2>,2|Se<1>}	Se[6](P[6]Se[6]Se2)(Se[6]P[6]){1|Se<2>,2|Se<1>}	104.3585	0.749	4	104.3585	0.561	4	104.3585	0.561	4	104.3585	0.561	4	104.3585	0.561	4	104.3585	0.561	4
849	977	977	0:SP3_SP-NON_SP-NON	P[6]	S	S	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:S-1:S-1:	P[6]-4:	P[6]-4:	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2	S(P[6]C[6,6a]S[6]S)	S(P[6]C[6,6a]S[6]S)	P[6](C[6,6a]C[6,6a,6a]C[6a])(S[6]P[6])(S)2{1|H<1>,2|C<4>,3|C<3>}	S(P[6]C[6,6a]S[6]S)	S(P[6]C[6,6a]S[6]S)	120.7370	0.682	2	120.7370	0.465	2	120.7370	0.465	2	120.7370	0.465	2	120.7370	0.465	2	120.7370	0.465	2
849	983	983	0:SP3_SP1_SP1	P[6]	C	C	2:2:2:2:	4:2:	4:2:	N[6]-2:N[6]-2:C-2:C-2:	P[6]-4:C-2:	P[6]-4:C-2:	P[6](N[6]P[6])2(CC)2	C(P[6]N[6]2C)(CC[5])	C(P[6]N[6]2C)(CC[5])	P[6](N[6]P[6])2(CC)2{4|Cl<1>,1|N<2>}	C(P[6]N[6]2C)(CC[5])	C(P[6]N[6]2C)(CC[5])	103.9130	0.000	1	103.9130	0.000	1	103.9130	0.000	1	103.9130	0.000	1	103.9130	0.000	1	103.9130	0.000	1
850	654	654	3:SP-NON_SP3_SP3	I[3]	B[3]	B[3]	4:4:	4:3:2:4:	4:3:2:1:	B[3]-4:B[3]-4:	B[3]-4:C[6a]-3:I[3]-2:P-4:	B[3]-4:C[6a]-3:I[3]-2:I-1:	I[3](B[3]C[6a]B[3]I)(B[3]C[6a]B[3]P)	B[3](B[3]C[6a]I[3]I)(C[6a]C[6a]2)(I[3]B[3])(PC3)	B[3](B[3]C[6a]I[3]P)(C[6a]C[6a]2)(I[3]B[3])(I)	I[3](B[3]C[6a]B[3]I)(B[3]C[6a]B[3]P){4|C<3>}	B[3](B[3]C[6a]I[3]I)(C[6a]C[6a]2)(I[3]B[3])(PC3){2|C<4>,4|C<3>}	B[3](B[3]C[6a]I[3]P)(C[6a]C[6a]2)(I[3]B[3])(I){2|C<4>,4|C<3>}	39.9286	0.000	1	39.9286	0.000	1	39.9286	0.000	1	39.9286	0.000	1	39.9286	0.000	1	39.9286	0.000	1
851	27	663	3:SP3_SPD5_SPD6	N[3a,3a,5a,3x6a]	B[3x3,3a,3a,5,5,6]	B[3,3,3a,5,5a,6,3x6a]	5:5:6:1:	6:6:5:5:4:1:	6:6:4:5:1:	B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:B[3x3,3a,3a,5,5,6]-6:H-1:	B[5x3,5,5a,6a]-6:B[5x3,5,5a,6a]-6:B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:N[3a,3a,5a,3x6a]-4:H-1:	B[5x3,5,5a,6a]-6:B[3x3,3a,3a,5,5,6]-6:N[3a,3a,5a,3x6a]-4:B[3,3,5,6,6a,6a]-5:H-1:	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H)	B[3x3,3a,3a,5,5,6](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3,3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2H)(H)	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3,3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H)	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H){1|B<6>,1|H<2>,1|N<3>,5|H<1>}	B[3x3,3a,3a,5,5,6](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3,3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2H)(H){1|H<2>,1|N<3>,4|H<1>}	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3,3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H){1|B<6>,1|H<2>,2|C<3>,3|H<1>}	70.2041	0.000	1	70.2041	0.000	1	70.2041	0.000	1	70.2041	0.000	1	71.7545	4.807	2	71.7545	4.807	2
851	27	663	3:SP3_SPD5_SPD6	N[3a,3a,5a,3x6a]	B[3x3,3a,3a,5,5,6]	B[3,3,3a,5,5a,6,3x6a]	5:5:6:1:	6:6:5:5:4:1:	6:6:4:6:1:	B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:B[3x3,3a,3a,5,5,6]-6:H-1:	B[5x3,5,5a,6a]-6:B[5x3,5,5a,6a]-6:B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:N[3a,3a,5a,3x6a]-4:H-1:	B[5x3,5,5a,6a]-6:B[3x3,3a,3a,5,5,6]-6:N[3a,3a,5a,3x6a]-4:B[3x3,5,6,6a,6a]-6:H-1:	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H)	B[3x3,3a,3a,5,5,6](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3,3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2H)(H)	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3x3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(H)	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H){1|B<6>,1|H<2>,1|N<3>,5|H<1>}	B[3x3,3a,3a,5,5,6](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3,3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2H)(H){1|H<2>,1|N<3>,4|H<1>}	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3x3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(H){1|B<5>,3|H<1>}	73.3049	0.000	1	73.3049	0.000	1	73.3049	0.000	1	73.3049	0.000	1	71.7545	4.807	2	71.7545	4.807	2
851	27	951	0:SP3_SP-NON_SPD6	N[3a,3a,5a,3x6a]	B[3x3,3a,3a,5,5,6]	H	5:5:6:1:	6:6:5:5:4:1:	4:	B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:B[3x3,3a,3a,5,5,6]-6:H-1:	B[5x3,5,5a,6a]-6:B[5x3,5,5a,6a]-6:B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:N[3a,3a,5a,3x6a]-4:H-1:	N[3a,3a,5a,3x6a]-4:	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H)	B[3x3,3a,3a,5,5,6](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3,3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2H)(H)	H(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2B[3x3,3a,3a,5,5,6])	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H){1|B<6>,1|H<2>,1|N<3>,5|H<1>}	B[3x3,3a,3a,5,5,6](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3,3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,5,6,6a,6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2H)(H){1|H<2>,1|N<3>,4|H<1>}	H(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2B[3x3,3a,3a,5,5,6])	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1
851	519	643	0:SP3_SP2_SP2	N[3,5a]	N[5a]	C[6a]	3:2:3:2:	4:3:	4:3:3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[5a,6a]-3:	N[3,5a]-4:C[6a]-3:C[6a]-3:	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a])	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1
851	519	853	5:SP3_SP2_SP2	N[3,5a]	N[5a]	C[3,5a]	3:2:3:2:	4:3:	4:3:2:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[5a,6a]-3:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a])	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1
851	519	968	0:SP3_SP-NON_SP2	N[3,5a]	N[5a]	H[3]	3:2:3:2:	4:3:	4:3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[5a,6a]-3:	N[3,5a]-4:C[3,5a]-3:	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a])	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	177.1760	0.000	1	177.1760	0.000	1	177.1760	0.000	1	177.1760	0.000	1	177.1760	0.000	1	177.1760	0.000	1
851	643	853	0:SP3_SP2_SP2	N[3,5a]	C[6a]	C[3,5a]	3:2:3:2:	4:3:3:	4:3:2:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[6a]-3:C[6a]-3:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1
851	643	968	0:SP3_SP-NON_SP2	N[3,5a]	C[6a]	H[3]	3:2:3:2:	4:3:3:	4:3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[6a]-3:C[6a]-3:	N[3,5a]-4:C[3,5a]-3:	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	C[6a](N[3,5a]C[3,5a]N[5a]H[3])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	65.0250	0.000	1	65.0250	0.000	1	65.0250	0.000	1	65.0250	0.000	1	65.0250	0.000	1	65.0250	0.000	1
851	663	663	3:SP3_SPD5_SPD5	N[3a]	B[3,3a]	B[3,3a]	5:5:1:1:	5:4:2:1:1:	5:4:2:1:1:	B[3,3a]-5:B[3,3a]-5:H-1:H-1:	B[3,3a]-5:N[3a]-4:H[3]-2:H-1:H-1:	B[3,3a]-5:N[3a]-4:H[3]-2:H-1:H-1:	N[3a](B[3,3a]B[3,3a]H[3]HH)2(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	N[3a](B[3,3a]B[3,3a]H[3]HH)2(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	77.0152	0.000	1	77.0152	0.000	1	77.0152	0.000	1	77.0152	0.000	1	77.0152	0.000	1	77.0152	0.000	1
851	663	663	5:SP3_SPD5_SPD5	N[3a,3a,5a,3x6a]	B[3,3,3a,5,5a,6,3x6a]	B[3,3,3a,5,5a,6,3x6a]	5:5:6:1:	6:6:4:5:1:	6:6:4:6:1:	B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:B[3x3,3a,3a,5,5,6]-6:H-1:	B[5x3,5,5a,6a]-6:B[3x3,3a,3a,5,5,6]-6:N[3a,3a,5a,3x6a]-4:B[3,3,5,6,6a,6a]-5:H-1:	B[5x3,5,5a,6a]-6:B[3x3,3a,3a,5,5,6]-6:N[3a,3a,5a,3x6a]-4:B[3x3,5,6,6a,6a]-6:H-1:	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H)	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3,3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H)	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3x3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(H)	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H){1|B<6>,1|H<2>,1|N<3>,5|H<1>}	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3,3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H){1|B<6>,1|H<2>,2|C<3>,3|H<1>}	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3x3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(H){1|B<5>,3|H<1>}	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1
851	663	951	0:SP3_SP-NON_SPD5	N[3a,3a,5a,3x6a]	B[3,3,3a,5,5a,6,3x6a]	H	5:5:6:1:	6:6:4:5:1:	4:	B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:B[3x3,3a,3a,5,5,6]-6:H-1:	B[5x3,5,5a,6a]-6:B[3x3,3a,3a,5,5,6]-6:N[3a,3a,5a,3x6a]-4:B[3,3,5,6,6a,6a]-5:H-1:	N[3a,3a,5a,3x6a]-4:	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H)	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3,3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H)	H(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2B[3x3,3a,3a,5,5,6])	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H){1|B<6>,1|H<2>,1|N<3>,5|H<1>}	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3,3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]N[6]H)(H){1|B<6>,1|H<2>,2|C<3>,3|H<1>}	H(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2B[3x3,3a,3a,5,5,6])	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	117.3560	33.817	2	116.4308	10.116	6
851	663	951	0:SP3_SP-NON_SPD5	N[3a,3a,5a,3x6a]	B[3,3,3a,5,5a,6,3x6a]	H	5:5:6:1:	6:6:4:6:1:	4:	B[3,3,3a,5,5a,6,3x6a]-5:B[3,3,3a,5,5a,6,3x6a]-5:B[3x3,3a,3a,5,5,6]-6:H-1:	B[5x3,5,5a,6a]-6:B[3x3,3a,3a,5,5,6]-6:N[3a,3a,5a,3x6a]-4:B[3x3,5,6,6a,6a]-6:H-1:	N[3a,3a,5a,3x6a]-4:	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H)	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3x3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(H)	H(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2B[3x3,3a,3a,5,5,6])	N[3a,3a,5a,3x6a](B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3,3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]2B[5x3,5,5a,6a]2H)(H){1|B<6>,1|H<2>,1|N<3>,5|H<1>}	B[3,3,3a,5,5a,6,3x6a](B[5x3,5,5a,6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]H)(B[3x3,3a,3a,5,5,6]B[3,3,3a,5,5a,6,3x6a]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]2H)(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]H)(B[3x3,5,6,6a,6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H[3]HH)(H){1|B<5>,3|H<1>}	H(N[3a,3a,5a,3x6a]B[3,3,3a,5,5a,6,3x6a]2B[3x3,3a,3a,5,5,6])	113.2440	0.000	1	113.2440	0.000	1	113.2440	0.000	1	113.2440	0.000	1	117.3560	33.817	2	116.4308	10.116	6
851	663	951	0:SP3_SP-NON_SPD5	N[3a]	B[3,3a]	H	5:5:1:1:	5:4:2:1:1:	4:	B[3,3a]-5:B[3,3a]-5:H-1:H-1:	B[3,3a]-5:N[3a]-4:H[3]-2:H-1:H-1:	N[3a]-4:	N[3a](B[3,3a]B[3,3a]H[3]HH)2(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	H(N[3a]B[3,3a]2H)	N[3a](B[3,3a]B[3,3a]H[3]HH)2(H)2	B[3,3a](B[3,3a]N[3a]H[3]HH)(N[3a]B[3,3a]HH)(H[3]B[3,3a])(H)2	H(N[3a]B[3,3a]2H)	115.9682	2.175	4	115.9682	4.732	4	115.9682	4.732	4	115.9682	4.732	4	115.9682	4.732	4	116.4308	10.116	6
851	853	968	0:SP3_SP-NON_SP2	N[3,5a]	C[3,5a]	H[3]	3:2:3:2:	4:3:2:	4:3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	N[3,5a]-4:C[3,5a]-3:	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	59.2375	0.000	1	59.2375	0.000	1	59.2375	0.000	1	59.2375	0.000	1	59.2375	0.000	1	59.2375	0.000	1
851	951	951	0:SP3_SP-NON_SP-NON	N[3a]	H	H	5:5:1:1:	4:	4:	B[3,3a]-5:B[3,3a]-5:H-1:H-1:	N[3a]-4:	N[3a]-4:	N[3a](B[3,3a]B[3,3a]H[3]HH)2(H)2	H(N[3a]B[3,3a]2H)	H(N[3a]B[3,3a]2H)	N[3a](B[3,3a]B[3,3a]H[3]HH)2(H)2	H(N[3a]B[3,3a]2H)	H(N[3a]B[3,3a]2H)	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1
852	78	778	0:SP3_SP3_SPD5	P[3]	Se[3]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:P[3]-3:Se[3]-2:	P[3]-3:P[3]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P[3]-3:	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3])	Se[3](P[3]C[3x3,4,3x5,14x6]P[3])2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]Se[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	Se[3](P[3]C[3x3,4,3x5,14x6]P[3])2{8|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]Se[3]P[3]){1|B<6>,1|C<3>,1|C<5>,5|H<1>}	102.0553	3.829	2	102.0553	14.664	2	102.0553	14.664	2	102.0553	14.664	2	102.0553	14.664	2	102.0553	14.664	2
852	78	852	3:SP3_SP3_SP3	P[3]	Se[3]	P[3]	5:3:2:	3:3:	5:3:2:	C[3x3,4,3x5,14x6]-5:P[3]-3:Se[3]-2:	P[3]-3:P[3]-3:	C[3x3,4,3x5,14x6]-5:P[3]-3:Se[3]-2:	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3])	Se[3](P[3]C[3x3,4,3x5,14x6]P[3])2	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	Se[3](P[3]C[3x3,4,3x5,14x6]P[3])2{8|B<6>}	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	60.0613	2.292	2	60.0613	5.255	2	60.0613	5.255	2	60.0613	5.255	2	60.0613	5.255	2	60.0613	5.255	2
852	138	542	0:SP3_SP2_SP3	P[3,5]	N[3]	N[5]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	P[3,5]-3:C[6a]-3:C[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5])	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|H<1>,6|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	100.6640	0.000	1	100.6640	0.000	1	100.6640	0.000	1	100.6640	0.000	1	100.6640	0.000	1	100.6640	0.000	1
852	138	542	0:SP3_SP3_SP3	P[3,5]	N[3]	N[5]	3:3:3:	3:3:3:	3:3:2:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	P[3,5]-3:C[6a]-3:P[5]-2:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|C<4>,1|P<2>,5|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	100.3160	0.000	1	100.3160	0.000	1	100.3160	0.000	1	100.3160	0.000	1	100.3160	0.000	1	100.3160	0.000	1
852	138	818	0:SP3_SP2_SP3	P[3,5]	N[3]	C[5]	3:3:3:	3:3:3:	3:2:4:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	P[3,5]-3:P[5]-2:C-4:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C)	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C){3|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|C<4>,1|P<2>,5|C<3>}	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3){2|C<3>}	99.6125	0.000	1	99.6125	0.000	1	99.6125	0.000	1	99.6125	0.000	1	99.0258	0.688	2	99.0258	0.688	2
852	138	818	0:SP3_SP2_SP3	P[3,5]	N[3]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	P[3,5]-3:C[5]-3:H-1:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H)	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	C[5](P[3,5]P[3,5]N[3])(C[5]N[5]H)(H)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H){1|H<1>,3|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5](P[3,5]P[3,5]N[3])(C[5]N[5]H)(H){2|C<3>}	98.4392	0.000	1	98.4392	0.000	1	98.4392	0.000	1	98.4392	0.000	1	99.0258	0.688	2	99.0258	0.688	2
852	138	852	3:SP3_SP3_SP3	P[3,5]	N[3]	P[3,5]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H)	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H){1|H<1>,3|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|H<1>,6|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	49.4594	0.000	1	49.4594	0.000	1	49.2460	0.091	2	50.2371	1.343	4	50.2371	1.343	4	50.2371	1.343	4
852	138	852	3:SP3_SP3_SP3	P[3,5]	N[3]	P[3,5]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C)	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C){3|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|C<4>,1|P<2>,5|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	49.0326	0.000	1	49.0326	0.000	1	49.2460	0.091	2	50.2371	1.343	4	50.2371	1.343	4	50.2371	1.343	4
852	138	852	3:SP3_SP3_SP3	P[3,5]	N[3]	P[3,5]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5])	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|H<1>,6|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H){1|H<1>,3|C<3>}	51.1619	0.000	1	51.1619	0.000	1	51.2282	0.009	2	50.2371	1.343	4	50.2371	1.343	4	50.2371	1.343	4
852	138	852	3:SP3_SP3_SP3	P[3,5]	N[3]	P[3,5]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5]-3:P[3,5]-3:C[6a]-3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	N[3](P[3,5]P[3,5]C[5])(P[3,5]P[3,5]N[5])(C[6a]C[6a]2){1|C<4>,1|P<2>,5|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C){3|C<3>}	51.2945	0.000	1	51.2945	0.000	1	51.2282	0.009	2	50.2371	1.343	4	50.2371	1.343	4	50.2371	1.343	4
852	246	486	0:SP3_SP3_SP3	P[3,5]	P[5]	C[3]	4:4:3:	3:3:4:	4:3:3:3:	C[3,5]-4:C[3]-4:P[5]-3:	P[3,5]-3:C[5]-3:C-4:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C)	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C){8|C<3>}	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH){6|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	99.9520	0.000	1	99.9520	0.000	1	99.9520	0.000	1	99.9520	0.000	1	99.9520	0.000	1	99.9520	0.000	1
852	246	486	5:SP3_SP3_SP3	P[3,5]	P[5]	C[3,5]	4:4:3:	3:3:4:	4:3:3:3:	C[3,5]-4:C[3]-4:P[5]-3:	P[3,5]-3:C[5]-3:C-4:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C)	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C){8|C<3>}	P[5](P[3,5]C[3,5]C[3])(C[5]C[6a]C[5])(CCCH){6|C<3>}	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	94.4797	0.000	1	94.4797	0.000	1	94.4797	0.000	1	94.4797	0.000	1	94.4797	0.000	1	94.4797	0.000	1
852	246	486	6:SP3_SP3_SP3	P[3,5,6]	P[5,6,6]	C[3,6,6]	4:3:3:	4:3:3:	3:3:3:4:	C[3,6,6]-4:P[3,5,6]-3:P[5,6,6]-3:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6])	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6]){2|Si<4>,1|H<1>,4|C<3>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	98.1183	0.000	1	98.1183	0.000	1	98.1183	0.000	1	98.1183	0.000	1	98.1183	0.000	1	98.1183	0.000	1
852	246	852	0:SP3_SP3_SP3	P[3,5,6]	P[3x5,6]	P[3]	3:3:3:	3:3:3:	3:3:2:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,6]-3:P[3,5,6]-3:P-2:	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5])	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5]){3|P<3>}	101.2965	0.289	2	101.2965	0.084	2	101.2965	0.084	2	101.2965	0.084	2	101.2965	0.084	2	101.2965	0.084	2
852	246	852	5:SP3_SP3_SP3	P[3,5,5,6]	P[3x5,6]	P[3,5,5]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5,6]-3:P[3,5,5,6]-3:P[5,5]-3:	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P)	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P){2|P<3>}	102.8300	0.426	2	102.8300	0.181	2	102.8300	0.181	2	102.8300	0.181	2	101.3899	2.879	4	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5,6]	P[3x5,6]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5,6]-3:P[3,5,5,6]-3:C[5,5]-4:	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2)	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5]){2|C<3>,3|O<2>}	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2){2|P<3>,4|C<3>}	99.9497	0.399	2	99.9497	0.159	2	99.9497	0.159	2	99.9497	0.159	2	101.3899	2.879	4	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5,6]	P[3,5,5]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3x5,6]-3:P[5,5,6]-3:P[3,5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2){1|Ga<4>,2|N<3>,3|P<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	106.1518	0.247	4	106.1518	0.061	4	106.1518	0.061	4	106.1518	0.061	4	106.1295	0.269	8	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5,6]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3x5,6]-3:P[5,5,6]-3:P[3,5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	P[5,5,6](P[3x5,6]Ga[5,5,6]P[5,5,6])(P[5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5]2){1|Ga<4>,2|N<3>,3|P<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2){2|P<3>,4|C<3>}	106.1072	0.752	4	106.1072	0.565	4	106.1072	0.565	4	106.1072	0.565	4	106.1295	0.269	8	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5,6]	3:3:3:	3:3:2:	3:3:3:	P[3,5,5,6]-3:P[3,5,5,6]-3:P[5,5]-3:	P[3,5,5]-3:P[4x5]-3:P-2:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P)	P[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(PC[5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P){2|P<3>}	P[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(PC[5]){2|P<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	105.3595	3.587	2	105.3595	12.868	2	105.3595	12.868	2	105.3595	12.868	2	105.3595	12.868	2	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:1:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3x5]-3:H-1:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]H)	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)(H)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]H){2|Ag<3>}	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)(H){2|Ag<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag){1|Ag<3>,1|H<1>}	102.2825	1.742	2	102.2825	3.033	2	102.2825	3.033	2	102.2825	3.033	2	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:C-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	96.4940	0.000	1	96.7232	0.105	2	96.7232	0.105	2	101.1516	26.243	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:C-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	96.9524	0.000	1	96.7232	0.105	2	96.7232	0.105	2	101.1516	26.243	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl){1|C<4>,2|N<3>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	105.8820	0.000	1	105.8820	0.000	1	105.5800	0.182	2	101.1516	26.243	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O){1|C<4>,2|N<3>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	105.2780	0.000	1	105.2780	0.000	1	105.5800	0.182	2	101.1516	26.243	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:C-4:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(CH3){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	112.1750	0.424	2	112.1750	0.180	2	112.1750	0.180	2	109.0733	13.719	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl){1|C<4>,2|N<3>,4|C<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	107.0880	0.000	1	107.0880	0.000	1	105.9715	2.493	2	109.0733	13.719	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,5]	P[5,5]	P[3,5,5]	3:3:3:	3:3:4:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O){1|C<4>,2|N<3>,4|C<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	104.8550	0.000	1	104.8550	0.000	1	105.9715	2.493	2	109.0733	13.719	4	104.5464	29.027	10	104.3608	16.032	25
852	246	852	5:SP3_SP3_SP3	P[3,5,6]	P[5,6,6]	P[3,5,6]	4:3:3:	4:3:3:	4:3:4:	C[3,6,6]-4:P[3,5,6]-3:P[5,6,6]-3:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6])	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6]){2|Si<4>,1|H<1>,4|C<3>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	98.2399	0.000	1	98.2399	0.000	1	98.2399	0.000	1	98.2399	0.000	1	98.2399	0.000	1	104.3608	16.032	25
852	246	852	6:SP3_SP3_SP3	P[3,5,5,6]	P[3x5,6]	P[3,5,5,6]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5]){2|C<3>,3|O<2>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	104.9780	0.175	2	104.9780	0.031	2	104.8238	0.045	4	104.8238	0.045	4	104.8238	0.045	4	104.9165	0.604	8
852	246	852	6:SP3_SP3_SP3	P[3,5,5,6]	P[3x5,6]	P[3,5,5,6]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	104.6695	0.093	2	104.6695	0.009	2	104.8238	0.045	4	104.8238	0.045	4	104.8238	0.045	4	104.9165	0.604	8
852	246	852	6:SP3_SP3_SP3	P[3,5,6]	P[3x5,6]	P[3,5,6]	3:3:3:	3:3:3:	3:3:3:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5])	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]P[3])(P[4x5]P[3x5,6]P[5,5]){2|P<2>}	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	104.5815	1.592	2	104.5815	2.534	2	104.5815	2.534	2	104.5815	2.534	2	105.0092	1.342	4	104.9165	0.604	8
852	246	852	6:SP3_SP3_SP3	P[3,5,6]	P[3x5,6]	P[3,5,6]	3:3:5:	3:3:3:	3:3:5:	P[3x5,6]-3:P[3,5,6]-3:Nb[3]-5:	P[3,5,5,6]-3:P[3,5,6]-3:P[4x5]-3:	P[3x5,6]-3:P[3,5,6]-3:Nb[3]-5:	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]Nb[3])(Nb[3]P[3,5,6]O3)	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5])	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]Nb[3])(Nb[3]P[3,5,6]O3)	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]Nb[3])(Nb[3]P[3,5,6]O3){1|C<4>,2|P<3>}	P[3x5,6](P[3,5,5,6]P[3,5,5,6]P[3,5,5])(P[3,5,6]P[3,5,6]Nb[3])(P[4x5]P[3x5,6]C[5,5]){2|C<3>,3|O<2>}	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]Nb[3])(Nb[3]P[3,5,6]O3){1|C<4>,2|P<3>}	105.4370	0.873	2	105.4370	0.761	2	105.4370	0.761	2	105.4370	0.761	2	105.0092	1.342	4	104.9165	0.604	8
852	466	486	0:SP3_SP3_SP3	P[3]	C[6]	C[3,3]	4:4:4:	3:4:4:1:	3:3:4:4:	C[3,3]-4:C[3,3]-4:C[6]-4:	P[3]-3:C[6]-4:C[6]-4:H-1:	P[3]-3:P[3]-3:C[3,3]-4:C-4:	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H)	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H)	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3)	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H){3|C<4>,4|H<1>}	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3){2|H<1>,4|C<4>}	114.7915	2.435	4	114.7915	5.929	4	114.7915	5.929	4	114.7915	5.929	4	114.7915	5.929	4	114.7915	5.929	4
852	466	852	0:SP3_SP3_SP3	P[3,6]	C[6]	P[3]	3:3:4:	3:3:1:1:	3:3:2:	P[3,6]-3:P[3]-3:C[6]-4:	P[3,6]-3:C[6]-3:H-1:H-1:	P[3,6]-3:P[3,6]-3:P-2:	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2	P[3](P[3,6]P[3,6]C[6])2(PC[5])	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2{1|P<2>,2|C<4>}	P[3](P[3,6]P[3,6]C[6])2(PC[5]){2|C<3>,4|H<1>}	101.9435	0.317	2	101.9435	0.101	2	101.9435	0.101	2	101.9435	0.101	2	101.9435	0.101	2	101.9435	0.101	2
852	466	852	6:SP3_SP3_SP3	P[3,6]	C[6]	P[3,6]	3:3:4:	3:3:1:1:	3:3:4:	P[3,6]-3:P[3]-3:C[6]-4:	P[3,6]-3:C[6]-3:H-1:H-1:	P[3,6]-3:P[3]-3:C[6]-4:	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2{1|P<2>,2|C<4>}	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	99.5277	0.259	2	99.5277	0.067	2	99.5277	0.067	2	99.5277	0.067	2	99.5277	0.067	2	99.5277	0.067	2
852	474	486	0:SP3_SP3_SP3	P[3,5]	C[5]	C[3]	3:4:4:	3:2:4:1:	3:3:4:1:	P[3,5]-3:C[3]-4:C[5]-4:	P[3,5]-3:P[5]-2:C-4:H-1:	P[3,5]-3:P[3,5]-3:C-4:H-1:	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H){1|H<1>,2|C<4>}	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1	102.5710	0.000	1
852	474	486	5:SP3_SP3_SP3	P[3,5,5]	C[5,5]	C[3,5]	4:4:3:	3:3:2:4:	3:3:3:4:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	P[3,5,5]-3:P[4,5]-3:P[5]-2:C-4:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3)	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3){1|C<3>,3|C<4>}	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	99.7405	0.319	2	99.7405	0.102	2	99.7405	0.102	2	99.7405	0.102	2	99.7405	0.102	2	99.7405	0.102	2
852	474	486	6:SP3_SP3_SP3	P[3,5,5,6]	C[3x5,6]	C[3,5,5,6]	4:4:4:	3:4:2:4:	4:3:3:4:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:	P[3,5,5,6]-3:C[4x5]-4:P[5,6]-2:C-4:	P[3,5,5]-4:P[3,5,5,6]-3:P[3x5,6]-3:C-4:	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C)	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3)	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3)	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C){1|C<3>,1|C<4>,1|O<1>}	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3){1|Cr<6>,1|O<1>,2|C<4>}	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3){1|O<1>,1|P<2>,3|C<4>}	96.8343	0.000	1	96.8343	0.000	1	96.8343	0.000	1	96.8343	0.000	1	96.8343	0.000	1	100.0659	11.188	7
852	474	486	6:SP3_SP3_SP3	P[3,5,6,6]	C[5,3x6]	C[3,4,6,6]	3:4:4:	3:4:2:4:	3:3:3:4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	P[3,5,6,6]-3:P[5,6,6]-4:P[6,6]-2:C-4:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3){1|P<3>,3|C<4>}	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	106.9580	0.000	1	100.0659	11.188	7
852	474	486	6:SP3_SP3_SP3	P[3,5,6,6]	C[5,5,6,6]	C[3,5,6,6]	4:4:3:	3:4:3:4:	3:4:3:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	P[3,5,6,6]-3:C[5,5,6,6]-4:P[5,6]-3:C-4:	P[3,5,6,6]-3:P[5,5,6,6]-4:P[3,6,6]-3:C-4:	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	C[5,5,6,6](P[3,5,6,6]C[3,5,6,6]P[3,6,6])(C[5,5,6,6]P[5,5,6,6]P[6,6]C)(P[5,6]C[5,6]W)(CC3)	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3)	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	C[5,5,6,6](P[3,5,6,6]C[3,5,6,6]P[3,6,6])(C[5,5,6,6]P[5,5,6,6]P[6,6]C)(P[5,6]C[5,6]W)(CC3){1|C<3>,1|W<6>,2|C<4>}	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3){1|P<2>,1|P<3>,4|C<4>}	97.0801	0.000	1	97.0801	0.000	1	97.0801	0.000	1	97.0801	0.000	1	97.0801	0.000	1	100.0659	11.188	7
852	474	486	6:SP3_SP3_SP3	P[3,5,6]	C[5,6]	C[3,6,6]	4:3:4:	4:3:4:1:	3:3:3:4:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	99.9305	0.000	1	99.8971	0.053	4	99.8971	0.053	4	99.8971	0.053	4	99.8971	0.053	4	100.0659	11.188	7
852	474	486	6:SP3_SP3_SP3	P[3,5,6]	C[5,6]	C[3,6,6]	4:3:4:	4:3:4:1:	3:3:3:4:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	99.7680	0.270	2	99.8971	0.053	4	99.8971	0.053	4	99.8971	0.053	4	99.8971	0.053	4	100.0659	11.188	7
852	474	486	6:SP3_SP3_SP3	P[3,5,6]	C[5,6]	C[3,6,6]	4:3:4:	4:3:4:1:	3:3:3:4:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	100.1220	0.000	1	99.8971	0.053	4	99.8971	0.053	4	99.8971	0.053	4	99.8971	0.053	4	100.0659	11.188	7
852	474	852	5:SP3_SP3_SP3	P[3,5,5]	C[5,5]	P[3,5,5,6]	3:3:4:	3:3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5,6]-3:C[5,5]-4:	P[3,5,5]-3:P[4x5]-3:C[6a]-3:C[6a]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2)	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2){2|P<3>,4|C<3>}	C[5,5](P[3,5,5]P[3,5,5,6]2)(P[4x5]P[3x5,6]2)(C[6a]C[6a]2)2{2|P<3>,4|C<3>,4|H<1>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	104.3745	0.288	2	104.3745	0.083	2	104.3745	0.083	2	104.3745	0.083	2	104.3745	0.083	2	101.7261	3.620	10
852	474	852	5:SP3_SP3_SP3	P[3,5,5]	C[5,5]	P[3,5]	4:4:3:	3:3:2:4:	4:3:3:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	P[3,5,5]-3:P[4,5]-3:P[5]-2:C-4:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3)	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	C[5,5](P[3,5,5]C[3,5]P[3,5])(P[4,5]P[4,5]C[4])(P[5]C[5])(CC3){1|C<3>,3|C<4>}	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	99.0387	0.019	2	99.0387	0.000	2	99.0387	0.000	2	99.0387	0.000	2	99.0387	0.000	2	101.7261	3.620	10
852	474	852	5:SP3_SP3_SP3	P[3,5,6,6]	C[5,3x6]	P[3,4,5]	3:4:4:	3:4:2:4:	4:3:4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	P[3,5,6,6]-3:P[5,6,6]-4:P[6,6]-2:C-4:	C[3,4,6,6]-4:P[3,5,6,6]-3:C[4,5,6,6]-4:	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3)	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3){1|P<3>,3|C<4>}	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|P<2>}	102.8210	0.000	1	102.8210	0.000	1	102.8210	0.000	1	102.8210	0.000	1	102.8210	0.000	1	101.7261	3.620	10
852	474	852	5:SP3_SP3_SP3	P[3,5,6]	C[5,6]	P[3,5,6]	4:3:4:	4:3:4:1:	4:3:3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[3,5,6]-3:P[5,6,6]-3:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6])	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6]){2|Si<4>,1|H<1>,4|C<3>}	101.2160	0.000	1	101.2160	0.000	1	101.2160	0.000	1	101.2160	0.000	1	101.8297	0.245	4	101.7261	3.620	10
852	474	852	5:SP3_SP3_SP3	P[3,5,6]	C[5,6]	P[3,5,6]	4:3:4:	4:3:4:1:	4:4:3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6])	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	102.2220	0.000	1	102.2220	0.000	1	102.0343	0.117	3	102.0343	0.117	3	101.8297	0.245	4	101.7261	3.620	10
852	474	852	5:SP3_SP3_SP3	P[3,5,6]	C[5,6]	P[3,5,6]	4:3:4:	4:3:4:1:	4:4:3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6])	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	101.9405	0.425	2	101.9405	0.181	2	102.0343	0.117	3	102.0343	0.117	3	101.8297	0.245	4	101.7261	3.620	10
852	474	852	5:SP3_SP3_SP3	P[3,5]	C[5]	P[3,5]	3:4:4:	3:2:4:1:	3:4:3:	P[3,5]-3:C[3]-4:C[5]-4:	P[3,5]-3:P[5]-2:C-4:H-1:	P[3,5]-3:C[3]-4:C[5]-3:	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)(H){1|H<1>,2|C<4>}	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	100.2950	0.000	1	100.2950	0.000	1	100.2950	0.000	1	100.2950	0.000	1	100.2950	0.000	1	101.7261	3.620	10
852	474	852	6:SP3_SP3_SP3	P[3,5,6,6]	C[5,5,6,6]	P[3,6,6]	4:4:3:	3:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	P[3,5,6,6]-3:C[5,5,6,6]-4:P[5,6]-3:C-4:	C[3,5,6,6]-4:P[3,5,6,6]-3:C[6,6]-3:	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	C[5,5,6,6](P[3,5,6,6]C[3,5,6,6]P[3,6,6])(C[5,5,6,6]P[5,5,6,6]P[6,6]C)(P[5,6]C[5,6]W)(CC3)	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C)	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	C[5,5,6,6](P[3,5,6,6]C[3,5,6,6]P[3,6,6])(C[5,5,6,6]P[5,5,6,6]P[6,6]C)(P[5,6]C[5,6]W)(CC3){1|C<3>,1|W<6>,2|C<4>}	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C){1|C<3>,1|P<3>,1|W<6>,2|C<4>}	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1
852	478	486	4:SP3_SP3_SP3	P[3,4,4]	C[4,4,5,5]	C[3,4,5,6]	4:3:4:	3:4:3:4:	3:3:4:4:	C[3,4,5,6]-4:P[3,4,5,6]-3:C[4,4,5,5]-4:	P[3,4,4]-3:P[4,5,5,6]-4:P[4,5,5,6]-3:C-4:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C)	C[4,4,5,5](P[3,4,4]C[3,4,5,6]P[3,4,5,6])(P[4,5,5,6]C[3,4,5,6]C[5,6]H)(P[4,5,5,6]P[3,4,5,6]C[5,6])(CC3)	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C){1|H<1>,2|C<3>}	C[4,4,5,5](P[3,4,4]C[3,4,5,6]P[3,4,5,6])(P[4,5,5,6]C[3,4,5,6]C[5,6]H)(P[4,5,5,6]P[3,4,5,6]C[5,6])(CC3){3|C<4>}	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	81.5486	0.000	1	81.5486	0.000	1	81.5486	0.000	1	81.5486	0.000	1	81.5486	0.000	1	82.7964	3.114	2
852	478	486	4:SP3_SP3_SP3	P[3,4,5]	C[4,5,6,6]	C[3,4,6,6]	4:3:4:	3:3:4:4:	3:3:3:4:	C[3,4,6,6]-4:P[3,5,6,6]-3:C[4,5,6,6]-4:	P[3,4,5]-3:P[4,3x6]-3:P[5,6,6]-4:C-4:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C)	C[4,5,6,6](P[3,4,5]C[3,4,6,6]P[3,5,6,6])(P[4,3x6]C[3,4,6,6]C[6,6])(P[5,6,6]C[5,3x6]ClO)(CC3)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|P<2>}	C[4,5,6,6](P[3,4,5]C[3,4,6,6]P[3,5,6,6])(P[4,3x6]C[3,4,6,6]C[6,6])(P[5,6,6]C[5,3x6]ClO)(CC3){1|P<2>,3|C<4>}	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	84.0443	0.000	1	84.0443	0.000	1	84.0443	0.000	1	84.0443	0.000	1	84.0443	0.000	1	82.7964	3.114	2
852	478	486	5:SP3_SP3_SP3	P[3,5,5]	C[4,5,5]	C[3,3,5]	4:4:4:	3:3:4:4:	3:3:4:4:	C[3,3,5]-4:C[3,3,5]-4:C[4,5,5]-4:	P[4,5,5]-3:P[3,5,5]-3:P[4]-4:C-4:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(C[4,5,5]P[4,5,5]P[4]C)	C[4,5,5](P[4,5,5]P[3,5,5]C[4])(P[3,5,5]C[3,3,5]2)(P[4]C[4]HO)(CC3)	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(C[4,5,5]P[4,5,5]P[4]C){1|C<4>,1|H<1>,1|O<2>}	C[4,5,5](P[4,5,5]P[3,5,5]C[4])(P[3,5,5]C[3,3,5]2)(P[4]C[4]HO)(CC3){1|H<1>,3|C<4>}	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	104.5660	0.793	2	104.5660	0.629	2	104.5660	0.629	2	104.5660	0.629	2	104.5660	0.629	2	104.5660	0.629	2
852	478	852	4:SP3_SP3_SP3	P[3,4,4]	C[4,4,5,5]	P[3,4,5,6]	4:3:4:	3:4:3:4:	4:3:3:	C[3,4,5,6]-4:P[3,4,5,6]-3:C[4,4,5,5]-4:	P[3,4,4]-3:P[4,5,5,6]-4:P[4,5,5,6]-3:C-4:	C[3,4,5,6]-4:P[3,4,4]-3:P[4,5,5,6]-3:	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C)	C[4,4,5,5](P[3,4,4]C[3,4,5,6]P[3,4,5,6])(P[4,5,5,6]C[3,4,5,6]C[5,6]H)(P[4,5,5,6]P[3,4,5,6]C[5,6])(CC3)	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6])	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C){1|H<1>,2|C<3>}	C[4,4,5,5](P[3,4,4]C[3,4,5,6]P[3,4,5,6])(P[4,5,5,6]C[3,4,5,6]C[5,6]H)(P[4,5,5,6]P[3,4,5,6]C[5,6])(CC3){3|C<4>}	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	85.3990	0.000	1	85.3990	0.000	1	85.3990	0.000	1	85.3990	0.000	1	85.3990	0.000	1	88.2018	3.176	5
852	478	852	4:SP3_SP3_SP3	P[3,4,4]	C[4,4]	P[3,3,4]	3:3:4:	3:3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:C[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:N-3:N-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	C[4,4](P[3,4,4]P[3,3,4]2)2(NC[6a]C)2	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	C[4,4](P[3,4,4]P[3,3,4]2)2(NC[6a]C)2	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	88.9025	0.981	4	88.9025	0.962	4	88.9025	0.962	4	88.9025	0.962	4	88.9025	0.962	4	88.2018	3.176	5
852	478	852	5:SP3_SP3_SP3	P[3,4,5]	C[4,5,6,6]	P[3,5,6,6]	4:3:4:	3:3:4:4:	3:4:4:	C[3,4,6,6]-4:P[3,5,6,6]-3:C[4,5,6,6]-4:	P[3,4,5]-3:P[4,3x6]-3:P[5,6,6]-4:C-4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C)	C[4,5,6,6](P[3,4,5]C[3,4,6,6]P[3,5,6,6])(P[4,3x6]C[3,4,6,6]C[6,6])(P[5,6,6]C[5,3x6]ClO)(CC3)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|P<2>}	C[4,5,6,6](P[3,4,5]C[3,4,6,6]P[3,5,6,6])(P[4,3x6]C[3,4,6,6]C[6,6])(P[5,6,6]C[5,3x6]ClO)(CC3){1|P<2>,3|C<4>}	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	94.2059	0.000	1	94.2059	0.000	1	94.2059	0.000	1	94.2059	0.000	1	94.2059	0.000	1	94.2059	0.000	1
852	486	486	3:SP3_SP3_SP3	P[3,5,5]	C[3,3,5]	C[3,3,5]	4:4:3:	3:3:4:4:	3:3:4:4:	C[3,3,5]-4:C[3,3,5]-4:P[4,5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(P[4,5,5]C[4,5,5]C[4])	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(P[4,5,5]C[4,5,5]C[4]){1|H<1>,1|P<4>,2|C<4>}	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	49.1740	0.000	1	49.1740	0.000	1	49.1740	0.000	1	49.1740	0.000	1	49.3152	0.040	2	49.0318	1.434	8
852	486	486	3:SP3_SP3_SP3	P[3,5,5]	C[3,3,5]	C[3,3,5]	4:4:4:	3:3:4:4:	3:3:4:4:	C[3,3,5]-4:C[3,3,5]-4:C[4,5,5]-4:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(C[4,5,5]P[4,5,5]P[4]C)	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(C[4,5,5]P[4,5,5]P[4]C){1|C<4>,1|H<1>,1|O<2>}	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	49.4565	0.000	1	49.4565	0.000	1	49.4565	0.000	1	49.4565	0.000	1	49.3152	0.040	2	49.0318	1.434	8
852	486	486	3:SP3_SP3_SP3	P[3,5,5]	C[3,3x5]	C[3,3x5]	4:4:2:	4:3:3:4:	4:4:3:4:	C[3,3x5]-4:C[3,3x5]-4:Se[5,5]-2:	C[3,3x5]-4:P[3,5,5]-3:P[4,3x5]-3:C-4:	C[3,3x5]-4:P[4,3x5]-4:P[3,5,5]-3:C-4:	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5])	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3)	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3)	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5]){1|Se<1>,1|Se<2>,1|C<4>}	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3){1|Se<1>,1|C<4>}	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3){1|C<4>}	50.3565	0.000	1	50.3565	0.000	1	50.3565	0.000	1	50.3565	0.000	1	50.3565	0.000	1	49.0318	1.434	8
852	486	486	3:SP3_SP3_SP3	P[3,5]	C[3,5,6]	C[3,6]	4:4:3:	4:3:3:3:	4:3:3:4:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	47.5068	0.000	1	47.5068	0.000	1	47.5068	0.000	1	47.5068	0.000	1	47.5068	0.000	1	49.0318	1.434	8
852	486	486	3:SP3_SP3_SP3	P[3,5]	C[3,5]	C[3]	4:4:3:	4:3:3:3:	4:3:3:3:	C[3,5]-4:C[3]-4:P[5]-3:	C[3]-4:P[3,5]-3:C[5]-3:C[6a]-3:	C[3,5]-4:P[3,5]-3:C[6a]-3:C[6a]-3:	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C)	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2	P[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]2)(P[5]C[5]C){8|C<3>}	C[3,5](C[3]P[3,5]C[6a]2)(P[3,5]C[3]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[3](C[3,5]P[3,5]C[6a]C[5])(P[3,5]C[3,5]P[5])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,8|C<3>}	48.8485	0.000	1	48.8485	0.000	1	48.8485	0.000	1	48.8485	0.000	1	48.8485	0.000	1	49.0318	1.434	8
852	486	486	3:SP3_SP3_SP3	P[3]	C[3,3]	C[3,3]	4:4:3:	4:4:4:3:	4:4:4:3:	C[3,3]-4:C[3,3]-4:C[6a]-3:	C[3,3]-4:C[3,3]-4:C[3,3]-4:P[3]-3:	C[3,3]-4:C[3,3]-4:C[3,3]-4:P[3]-3:	P[3](C[3,3]C[3,3]3)2(C[6a]C[6a]2)	C[3,3](C[3,3]C[3,3]2P[3])(C[3,3]C[3,3]C[3]2)2(P[3]C[3,3]C[6a])	C[3,3](C[3,3]C[3,3]2P[3])(C[3,3]C[3,3]C[3]2)2(P[3]C[3,3]C[6a])	P[3](C[3,3]C[3,3]3)2(C[6a]C[6a]2){2|C<3>,2|H<1>,8|C<4>}	C[3,3](C[3,3]C[3,3]2P[3])(C[3,3]C[3,3]C[3]2)2(P[3]C[3,3]C[6a]){2|C<3>,4|C<4>,8|H<1>}	C[3,3](C[3,3]C[3,3]2P[3])(C[3,3]C[3,3]C[3]2)2(P[3]C[3,3]C[6a]){2|C<3>,4|C<4>,8|H<1>}	47.0201	0.000	1	47.0201	0.000	1	47.0201	0.000	1	47.0201	0.000	1	48.9707	2.858	3	49.0318	1.434	8
852	486	486	3:SP3_SP3_SP3	P[3]	C[3,3]	C[3,3]	4:4:4:	3:3:4:4:	3:3:4:4:	C[3,3]-4:C[3,3]-4:C[6]-4:	P[3]-3:P[3]-3:C[3,3]-4:C-4:	P[3]-3:P[3]-3:C[3,3]-4:C-4:	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H)	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3)	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3)	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H){3|C<4>,4|H<1>}	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3){2|H<1>,4|C<4>}	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3){2|H<1>,4|C<4>}	49.9460	0.089	2	49.9460	0.008	2	49.9460	0.008	2	49.9460	0.008	2	48.9707	2.858	3	49.0318	1.434	8
852	486	486	4:SP3_SP3_SP3	P[3,3,4]	C[3,4,4]	C[3,4,4]	4:4:3:	3:3:3:4:	3:3:3:4:	C[3,4,4]-4:C[3,4,4]-4:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-4:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-4:	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2)	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3)	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3)	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2){1|P<4>}	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3){1|C<4>}	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3){1|C<4>}	73.1699	0.920	2	73.1699	0.846	2	73.1699	0.846	2	73.1699	0.846	2	73.1699	0.846	2	73.1699	0.846	2
852	486	490	0:SP3_SP3_SP3	P[3]	C[3]	C	4:4:4:	4:3:4:1:	3:4:4:4:	C[3]-4:P[3]-4:C-4:	P[3]-4:P[3]-3:C-4:H-1:	P[3]-3:C-4:C-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(P[3]C[3]P[3])(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(P[3]C[3]P[3])(CH3)3	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1	111.1860	0.000	1
852	486	643	0:SP3_SP2_SP3	P[3]	C[3,3]	C[6a]	4:4:3:	4:4:4:3:	3:3:3:	C[3,3]-4:C[3,3]-4:C[6a]-3:	C[3,3]-4:C[3,3]-4:C[3,3]-4:P[3]-3:	C[6a]-3:C[6a]-3:P[3]-3:	P[3](C[3,3]C[3,3]3)2(C[6a]C[6a]2)	C[3,3](C[3,3]C[3,3]2P[3])(C[3,3]C[3,3]C[3]2)2(P[3]C[3,3]C[6a])	C[6a](C[6a]C[6a]H)2(P[3]C[3,3]2)	P[3](C[3,3]C[3,3]3)2(C[6a]C[6a]2){2|C<3>,2|H<1>,8|C<4>}	C[3,3](C[3,3]C[3,3]2P[3])(C[3,3]C[3,3]C[3]2)2(P[3]C[3,3]C[6a]){2|C<3>,4|C<4>,8|H<1>}	C[6a](C[6a]C[6a]H)2(P[3]C[3,3]2){1|C<3>,2|H<1>,4|C<4>}	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1	104.5430	0.000	1
852	486	762	6:SP3_SP2_SP3	P[3,6,6]	C[3,5,6,6]	C[6,6]	4:3:3:	3:4:3:4:	3:2:4:	C[3,5,6,6]-4:P[3,5,6,6]-3:C[6,6]-3:	P[3,5,6,6]-3:P[5,5,6,6]-4:P[3,6,6]-3:C-4:	P[3,6,6]-3:P[6,6]-2:C-4:	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C)	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3)	C[6,6](P[3,6,6]C[3,5,6,6]P[3,5,6,6])(P[6,6]C[5,5,6,6])(CC3)	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C){1|C<3>,1|P<3>,1|W<6>,2|C<4>}	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3){1|P<2>,1|P<3>,4|C<4>}	C[6,6](P[3,6,6]C[3,5,6,6]P[3,5,6,6])(P[6,6]C[5,5,6,6])(CC3){1|P<4>,3|C<4>}	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1	109.1230	0.000	1
852	486	818	0:SP3_SP2_SP3	P[3,5]	C[3,5]	C[5]	4:3:3:	3:3:3:4:	3:2:4:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	P[3,5]-3:P[5]-2:C-4:	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3)	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3){2|C<4>,2|P<3>}	109.8855	0.149	2	109.8855	0.022	2	109.8855	0.022	2	109.8855	0.022	2	109.8855	0.022	2	104.6768	38.573	4
852	486	818	0:SP3_SP2_SP3	P[3,5]	C[3,6]	C[5]	4:4:3:	4:3:3:4:	3:3:4:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	P[3,5]-3:C[5,6]-3:C-4:	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3)	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3){1|C<4>,5|C<3>}	101.3620	0.000	1	101.3620	0.000	1	101.3620	0.000	1	101.3620	0.000	1	101.3620	0.000	1	104.6768	38.573	4
852	486	818	0:SP3_SP2_SP3	P[3,5]	C[3]	C[5]	3:4:3:	3:3:4:1:	3:2:4:	P[3,5]-3:C[3]-4:C[5]-3:	P[3,5]-3:P[3,5]-3:C-4:H-1:	P[3,5]-3:P[5]-2:C-4:	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3){2|C<4>,2|H<1>}	97.5741	0.000	1	97.5741	0.000	1	97.5741	0.000	1	97.5741	0.000	1	97.5741	0.000	1	104.6768	38.573	4
852	486	818	5:SP3_SP2_SP3	P[3,5]	C[3,5,6]	C[5]	4:4:3:	4:3:3:3:	3:3:4:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	P[3,5]-3:C[5,6]-3:C-4:	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3)	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](P[3,5]C[3,5,6]C[3,6])(C[5,6]N[5,6]N[6])(CC3){1|C<4>,5|C<3>}	90.7929	0.000	1	90.7929	0.000	1	90.7929	0.000	1	90.7929	0.000	1	90.7929	0.000	1	90.7929	0.000	1
852	486	852	3:SP3_SP3_SP3	P[3,3,4]	C[3,4,4]	P[3,3,4]	4:4:3:	3:3:3:4:	4:4:3:	C[3,4,4]-4:C[3,4,4]-4:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-4:	C[3,4,4]-4:C[3,4,4]-4:P[3,3,4]-3:	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2)	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3)	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2)	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2){1|P<4>}	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3){1|C<4>}	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2){1|P<4>}	55.4453	0.741	4	55.4453	0.549	4	55.4453	0.549	4	55.4453	0.549	4	55.4453	0.549	4	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,3,5]	C[3,5,5]	P[3,3,5]	3:4:3:	3:3:4:2:	3:4:3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,3,5]-3:P[3,3,5]-3:C[5,5]-4:O-2:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5]){1|C<3>}	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	54.2620	0.188	2	54.2620	0.035	2	54.2620	0.035	2	54.2620	0.035	2	54.2620	0.035	2	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,4,4]	C[3,4,5,6]	P[3,4,5,6]	4:3:4:	3:3:4:4:	4:3:3:	C[3,4,5,6]-4:P[3,4,5,6]-3:C[4,4,5,5]-4:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	C[3,4,5,6]-4:P[3,4,4]-3:P[4,5,5,6]-3:	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C)	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6])	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C){1|H<1>,2|C<3>}	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	53.4566	0.000	1	53.4566	0.000	1	53.4566	0.000	1	53.4566	0.000	1	53.4566	0.000	1	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,4,5,6]	C[3,4,5,6]	P[3,4,4]	4:3:3:	3:3:4:4:	4:3:4:	C[3,4,5,6]-4:P[3,4,4]-3:P[4,5,5,6]-3:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	C[3,4,5,6]-4:P[3,4,5,6]-3:C[4,4,5,5]-4:	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6])	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C)	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C){1|H<1>,2|C<3>}	54.4592	0.000	1	54.4592	0.000	1	54.4592	0.000	1	54.4592	0.000	1	54.4592	0.000	1	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,4,5]	C[3,4,6,6]	P[3,5,6,6]	4:3:4:	3:3:3:4:	3:4:4:	C[3,4,6,6]-4:P[3,5,6,6]-3:C[4,5,6,6]-4:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|P<2>}	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	52.8504	0.000	1	52.8504	0.000	1	52.8504	0.000	1	52.8504	0.000	1	52.8504	0.000	1	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,5]	C[3,5]	P[3,5]	4:4:3:	3:3:3:4:	4:3:3:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	54.4881	0.042	2	54.4881	0.002	2	54.4881	0.002	2	54.4881	0.002	2	54.4881	0.002	2	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6,6]	C[3,4,6,6]	P[3,4,5]	3:4:4:	3:3:3:4:	4:3:4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	C[3,4,6,6]-4:P[3,5,6,6]-3:C[4,5,6,6]-4:	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C)	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|P<2>}	54.9008	0.000	1	54.9008	0.000	1	54.9008	0.000	1	54.9008	0.000	1	54.9008	0.000	1	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6,6]	C[3,5,6,6]	P[3,6,6]	4:4:3:	3:4:3:4:	4:3:3:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	P[3,5,6,6]-3:P[5,5,6,6]-4:P[3,6,6]-3:C-4:	C[3,5,6,6]-4:P[3,5,6,6]-3:C[6,6]-3:	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3)	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C)	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3){1|P<2>,1|P<3>,4|C<4>}	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C){1|C<3>,1|P<3>,1|W<6>,2|C<4>}	53.6474	0.000	1	53.6474	0.000	1	53.6474	0.000	1	53.6474	0.000	1	53.6474	0.000	1	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6]	C[3,6,6]	P[3,5,6]	4:3:3:	3:3:3:4:	4:3:4:	C[3,6,6]-4:P[3,5,6]-3:P[5,6,6]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6])	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6]){2|Si<4>,1|H<1>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	54.2318	0.000	1	54.2318	0.000	1	54.2318	0.000	1	54.2318	0.000	1	54.7378	0.600	8	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6]	C[3,6,6]	P[3,5,6]	4:3:4:	3:3:3:4:	4:3:3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[3,6,6]-4:P[3,5,6]-3:P[5,6,6]-3:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6])	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]C[5,6])(P[5,6,6]C[5,3x6]C[6]){2|Si<4>,1|H<1>,4|C<3>}	55.4312	0.000	1	55.4312	0.000	1	55.4312	0.000	1	55.4312	0.000	1	54.7378	0.600	8	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6]	C[3,6,6]	P[3,5,6]	4:3:4:	3:3:3:4:	4:4:3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6])	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	55.6863	0.000	1	55.6863	0.000	1	55.4483	0.064	3	55.4483	0.064	3	54.7378	0.600	8	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6]	C[3,6,6]	P[3,5,6]	4:3:4:	3:3:3:4:	4:4:3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6])	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	55.3293	0.209	2	55.3293	0.044	2	55.4483	0.064	3	55.4483	0.064	3	54.7378	0.600	8	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6]	C[3,6,6]	P[3,5,6]	4:4:3:	3:3:3:4:	4:3:4:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6])	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Au)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Au<2>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	53.8467	0.000	1	53.8467	0.000	1	53.9650	0.014	3	53.9650	0.014	3	54.7378	0.600	8	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5,6]	C[3,6,6]	P[3,5,6]	4:4:3:	3:3:3:4:	4:3:4:	C[3,6,6]-4:P[5,6,6]-4:P[3,5,6]-3:	P[3,5,6]-3:C[6,6,6a]-3:P[3,5,6]-3:Si-4:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6])	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[5,6,6]C[5,3x6]C[6]Cu)(P[3,5,6]C[3,6,6]C[5,6]){2|Si<4>,1|H<1>,4|C<3>}	C[3,6,6](P[3,5,6]P[3,5,6]P[5,6,6])(C[6,6,6a]C[6,6,6a]C[6a])(P[3,5,6]P[3,5,6]C[5,6])(SiC3){1|Cu<3>,1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	54.0241	0.089	2	54.0241	0.008	2	53.9650	0.014	3	53.9650	0.014	3	54.7378	0.600	8	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5]	C[3,5]	P[3,5,5]	4:3:3:	3:3:3:4:	4:4:3:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	53.8439	0.097	2	53.8439	0.009	2	53.8439	0.009	2	53.8439	0.009	2	53.8439	0.009	2	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5]	C[3]	P[3,5]	3:4:3:	3:3:4:1:	3:4:4:	P[3,5]-3:C[3]-4:C[5]-3:	P[3,5]-3:P[3,5]-3:C-4:H-1:	P[3,5]-3:C[3]-4:C[5]-4:	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	52.8871	0.000	1	52.8871	0.000	1	52.8871	0.000	1	52.8871	0.000	1	53.5592	0.904	2	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,5]	C[3]	P[3,5]	3:4:4:	3:3:4:1:	3:4:3:	P[3,5]-3:C[3]-4:C[5]-4:	P[3,5]-3:P[3,5]-3:C-4:H-1:	P[3,5]-3:C[3]-4:C[5]-3:	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	54.2314	0.000	1	54.2314	0.000	1	54.2314	0.000	1	54.2314	0.000	1	53.5592	0.904	2	54.3911	0.825	26
852	486	852	3:SP3_SP3_SP3	P[3,6,6]	C[3,5,6,6]	P[3,5,6,6]	4:3:3:	3:4:3:4:	4:4:3:	C[3,5,6,6]-4:P[3,5,6,6]-3:C[6,6]-3:	P[3,5,6,6]-3:P[5,5,6,6]-4:P[3,6,6]-3:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C)	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3)	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C){1|C<3>,1|P<3>,1|W<6>,2|C<4>}	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3){1|P<2>,1|P<3>,4|C<4>}	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	52.8643	0.000	1	52.8643	0.000	1	52.8643	0.000	1	52.8643	0.000	1	52.8643	0.000	1	54.3911	0.825	26
852	486	852	5:SP3_SP3_SP3	P[3,3,5]	C[3,5,5]	P[3,5,5]	3:4:3:	3:3:4:2:	3:3:3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,3,5]-3:P[3,3,5]-3:C[5,5]-4:O-2:	P[3,3,5]-3:P[3,3,5]-3:N[5,5]-3:	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5])	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	C[3,5,5](P[3,3,5]P[3,3,5]P[3,5,5])2(C[5,5]N[5,5]CH)(OP[5]){1|C<3>}	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a]){1|H<1>,1|O<2>,3|C<3>}	78.8315	0.232	2	78.8315	0.054	2	78.8315	0.054	2	78.8315	0.054	2	78.8315	0.054	2	78.8315	0.054	2
852	486	865	3:SP3_SP3_SP3	P[3]	C[3]	P[3]	4:4:4:	4:3:4:1:	4:3:4:4:	C[3]-4:P[3]-4:C-4:	P[3]-4:P[3]-3:C-4:H-1:	C[3]-4:P[3]-3:C-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	52.6899	0.000	1	52.6899	0.000	1	52.6899	0.000	1	52.6899	0.000	1	52.6899	0.000	1	52.6899	0.000	1
852	486	869	3:SP3_SP2_SP3	P[3]	C[3]	Si[3]	3:4:3:	3:3:3:4:	4:3:3:	Si[3]-3:C[3]-4:Si-3:	Si[3]-3:P[3]-3:Si-3:C-4:	C[3]-4:P[3]-3:C[5]-3:	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2)	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2)	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2){2|N<3>}	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2){2|C<3>,2|C<4>}	55.3933	0.000	1	55.3933	0.000	1	55.3933	0.000	1	55.3933	0.000	1	55.3933	0.000	1	55.3933	0.000	1
852	486	882	5:SP3_SP3_SP3	P[3,4,5,6]	C[3,4,5,6]	P[4,5,5,6]	4:3:3:	3:3:4:4:	4:3:3:	C[3,4,5,6]-4:P[3,4,4]-3:P[4,5,5,6]-3:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	C[4,4,5,5]-4:P[3,4,5,6]-3:C[5,6]-3:	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6])	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	P[4,5,5,6](C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(P[3,4,5,6]C[3,4,5,6]P[3,4,4])(C[5,6]C[5,6]C)	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	P[4,5,5,6](C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(P[3,4,5,6]C[3,4,5,6]P[3,4,4])(C[5,6]C[5,6]C){1|H<1>,2|C<4>}	94.8135	0.000	1	94.8135	0.000	1	94.8135	0.000	1	94.8135	0.000	1	94.8135	0.000	1	98.7704	40.528	3
852	486	882	5:SP3_SP3_SP3	P[3,5,5]	C[3,3,5]	P[4,5,5]	4:4:3:	3:3:4:4:	4:3:4:	C[3,3,5]-4:C[3,3,5]-4:P[4,5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	C[4,5,5]-4:P[3,5,5]-3:C[4]-4:	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(P[4,5,5]C[4,5,5]C[4])	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	P[4,5,5](C[4,5,5]P[3,5,5]P[4]C)(P[3,5,5]C[3,3,5]2)(C[4]P[4]CH)	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(P[4,5,5]C[4,5,5]C[4]){1|H<1>,1|P<4>,2|C<4>}	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	P[4,5,5](C[4,5,5]P[3,5,5]P[4]C)(P[3,5,5]C[3,3,5]2)(C[4]P[4]CH){1|H<1>,1|O<2>,2|C<4>}	100.7488	7.588	2	100.7488	57.571	2	100.7488	57.571	2	100.7488	57.571	2	100.7488	57.571	2	98.7704	40.528	3
852	486	979	0:SP3_SP2_SP3	P[3]	C[3]	Si	3:4:3:	3:3:3:4:	3:3:3:	Si[3]-3:C[3]-4:Si-3:	Si[3]-3:P[3]-3:Si-3:C-4:	P[3]-3:C[6a]-3:C[6a]-3:	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2)	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	Si(P[3]Si[3]C[3])(C[6a]C[6a]2)2	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2){2|N<3>}	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	Si(P[3]Si[3]C[3])(C[6a]C[6a]2)2	92.3728	0.000	1	92.3728	0.000	1	92.3728	0.000	1	92.3728	0.000	1	92.3728	0.000	1	92.3728	0.000	1
852	486	997	5:SP3_SP3_SP3	P[3,5,5]	C[3,3x5]	Se[5,5]	4:4:2:	4:3:3:4:	4:3:	C[3,3x5]-4:C[3,3x5]-4:Se[5,5]-2:	C[3,3x5]-4:P[3,5,5]-3:P[4,3x5]-3:C-4:	C[4,3x5]-4:P[3,5,5]-3:	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5])	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3)	Se[5,5](C[4,3x5]P[4,3x5]2C)(P[3,5,5]C[3,3x5]2)	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5]){1|Se<1>,1|Se<2>,1|C<4>}	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3){1|Se<1>,1|C<4>}	Se[5,5](C[4,3x5]P[4,3x5]2C)(P[3,5,5]C[3,3x5]2){1|Se<1>,1|Se<2>,2|C<4>}	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	101.4070	0.000	1	101.6375	0.106	2	101.6375	0.106	2
852	486	997	5:SP3_SP3_SP3	P[3,5,5]	C[3,3x5]	Se[5,5]	4:4:2:	4:4:3:4:	4:3:	C[3,3x5]-4:C[3,3x5]-4:Se[5,5]-2:	C[3,3x5]-4:P[4,3x5]-4:P[3,5,5]-3:C-4:	C[4,3x5]-4:P[3,5,5]-3:	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5])	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3)	Se[5,5](C[4,3x5]P[4,3x5]2C)(P[3,5,5]C[3,3x5]2)	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5]){1|Se<1>,1|Se<2>,1|C<4>}	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3){1|C<4>}	Se[5,5](C[4,3x5]P[4,3x5]2C)(P[3,5,5]C[3,3x5]2){1|Se<1>,1|Se<2>,2|C<4>}	101.8680	0.000	1	101.8680	0.000	1	101.8680	0.000	1	101.8680	0.000	1	101.6375	0.106	2	101.6375	0.106	2
852	490	865	0:SP3_SP3_SP3	P[3]	C	P[3]	4:4:4:	3:4:4:4:	4:3:4:4:	C[3]-4:P[3]-4:C-4:	P[3]-3:C-4:C-4:C-4:	C[3]-4:P[3]-3:C-4:C-4:	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C(P[3]C[3]P[3])(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C(P[3]C[3]P[3])(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1
852	542	852	5:SP3_SP2_SP3	P[3,5,5]	N[5,5]	P[3,3,5]	3:3:3:	3:4:3:	3:4:3:	P[3,3,5]-3:P[3,3,5]-3:N[5,5]-3:	P[3,5,5]-3:C[5,5]-4:C[6a]-3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a])	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2)	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a]){1|H<1>,1|O<2>,3|C<3>}	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>}	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	97.1415	0.705	2	97.1415	0.498	2	97.1415	0.498	2	97.1415	0.498	2	97.1415	0.498	2	95.7649	5.934	3
852	542	852	5:SP3_SP2_SP3	P[3,5]	N[5]	P[3,5]	3:3:3:	3:3:3:	3:3:3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5]-3:C[6a]-3:C[5]-3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5])	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H){1|H<1>,3|C<3>}	93.0118	0.000	1	93.0118	0.000	1	93.0118	0.000	1	93.0118	0.000	1	93.0118	0.000	1	95.7649	5.934	3
852	542	852	5:SP3_SP3_SP3	P[3,5]	N[5]	P[3,5]	3:3:3:	3:3:2:	3:3:3:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5]-3:C[6a]-3:P[5]-2:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C){3|C<3>}	97.6117	0.000	1	97.6117	0.000	1	97.6117	0.000	1	97.6117	0.000	1	97.6117	0.000	1	97.6117	0.000	1
852	610	852	0:SP3_SP3_SP3	P[3]	B	P[3,3]	3:3:4:	3:3:3:3:	3:3:3:	P[3,3]-3:P[3,3]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:P[3]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3)	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3){1|C<3>}	B(C[6a]C[6a]2)3(P[3]P[3,3]2)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	103.2715	2.355	2	103.2715	5.548	2	103.2715	5.548	2	103.2715	5.548	2	103.2715	5.548	2	103.2715	5.548	2
852	643	852	0:SP3_SP2_SP3	P[3]	C[6a]	P[3]	3:3:3:	3:3:3:	3:3:3:	P[3]-3:P[3]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P[3]-3:	P[3]-3:P[3]-3:C[6a]-3:	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(P[3]P[3]2)	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2)	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C)2(P[3]P[3]2){2|H<1>,3|C<3>}	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2){2|C<4>,6|C<3>}	108.3182	7.593	6	108.3182	57.654	6	108.3182	57.654	6	108.3182	57.654	6	108.3182	57.654	6	108.3182	57.654	6
852	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P[3]-4:C[3]-3:	P[3]-3:C[6a]-3:C[6a]-3:	P[3]-3:P[3]-4:C-3:	P[3](C[6a]C[6a]2)(P[3]C[3]CW)(C[3]P[3]C)	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2	C[3](P[3]C[6a]P[3])(P[3]P[3]CW)(CC[6a]2)	P[3](C[6a]C[6a]2)(P[3]C[3]CW)(C[3]P[3]C){2|C<3>,2|C<4>}	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2{1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[3](P[3]C[6a]P[3])(P[3]P[3]CW)(CC[6a]2){2|C<3>}	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.3070	0.000	1	108.2015	0.022	2	108.2015	0.022	2
852	643	902	0:SP3_SP2_SP2	P[3]	C[6a]	C[3]	4:3:3:	3:3:3:	4:3:3:	P[3]-4:C[6a]-3:C[3]-3:	P[3]-3:C[6a]-3:C[6a]-3:	P[3]-4:P[3]-3:C-3:	P[3](P[3]C[6a]C[3]W)(C[6a]C[6a]2)(C[3]P[3]C)	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2	C[3](P[3]C[6a]P[3]W)(P[3]C[6a]P[3])(CC[6a]2)	P[3](P[3]C[6a]C[3]W)(C[6a]C[6a]2)(C[3]P[3]C){2|C<4>,4|C<3>}	C[6a](P[3]C[3]P[3])(C[6a]C[6a]C)2{1|W<6>,2|H<1>,3|C<3>}	C[3](P[3]C[6a]P[3]W)(P[3]C[6a]P[3])(CC[6a]2){4|C<3>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	108.2015	0.022	2	108.2015	0.022	2
852	654	818	0:SP3_SP2_SP3	P[3]	B[3]	C[5]	3:4:3:	3:3:1:1:	3:3:3:	P[3]-3:B[3]-4:C[5]-3:	P[3]-3:P[3]-3:H-1:H-1:	N[5]-3:N[5]-3:P[3]-3:	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2)	B[3](P[3]C[5]P[3])2(H)2	C[5](N[5]C[6a]C[5])2(P[3]B[3]P[3])	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2){2|N<3>,4|C<3>}	B[3](P[3]C[5]P[3])2(H)2{4|N<3>}	C[5](N[5]C[6a]C[5])2(P[3]B[3]P[3]){4|H<1>,5|C<3>}	97.8303	0.395	2	97.8303	0.156	2	97.8303	0.156	2	97.8303	0.156	2	97.8303	0.156	2	97.8303	0.156	2
852	654	852	3:SP3_SP3_SP3	P[3]	B[3]	P[3]	3:4:3:	3:3:1:1:	3:4:3:	P[3]-3:B[3]-4:C[5]-3:	P[3]-3:P[3]-3:H-1:H-1:	P[3]-3:B[3]-4:C[5]-3:	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2)	B[3](P[3]C[5]P[3])2(H)2	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2)	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2){2|N<3>,4|C<3>}	B[3](P[3]C[5]P[3])2(H)2{4|N<3>}	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2){2|N<3>,4|C<3>}	56.2054	0.328	2	56.2054	0.108	2	56.2054	0.108	2	56.2054	0.108	2	56.2054	0.108	2	56.2054	0.108	2
852	706	778	0:SP3_SP3_SPD5	P[3]	S[3]	C[3x3,4,3x5,14x6]	5:3:2:	3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	P[3]-3:P[3]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P[3]-3:	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	S[3](P[3]C[3x3,4,3x5,14x6]P[3])2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]P[3]S[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	S[3](P[3]C[3x3,4,3x5,14x6]P[3])2{8|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]P[3]S[3]){1|B<6>,1|C<3>,1|C<5>,5|H<1>}	101.6761	3.977	2	101.6761	15.814	2	101.6761	15.814	2	101.6761	15.814	2	101.6761	15.814	2	101.6761	15.814	2
852	706	852	3:SP3_SP3_SP3	P[3]	S[3]	P[3]	5:3:2:	3:3:	5:3:2:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	P[3]-3:P[3]-3:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	S[3](P[3]C[3x3,4,3x5,14x6]P[3])2	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	S[3](P[3]C[3x3,4,3x5,14x6]P[3])2{8|B<6>}	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	57.9758	2.202	2	57.9758	4.849	2	57.9758	4.849	2	57.9758	4.849	2	57.9758	4.849	2	57.9758	4.849	2
852	762	852	6:SP3_SP2_SP3	P[3,6,6]	C[6,6]	P[3,5,6,6]	4:3:3:	3:2:4:	4:4:3:	C[3,5,6,6]-4:P[3,5,6,6]-3:C[6,6]-3:	P[3,6,6]-3:P[6,6]-2:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C)	C[6,6](P[3,6,6]C[3,5,6,6]P[3,5,6,6])(P[6,6]C[5,5,6,6])(CC3)	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C){1|C<3>,1|P<3>,1|W<6>,2|C<4>}	C[6,6](P[3,6,6]C[3,5,6,6]P[3,5,6,6])(P[6,6]C[5,5,6,6])(CC3){1|P<4>,3|C<4>}	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1
852	778	852	0:SP3_SP3_SPD5	P[3]	C[3x3,4,3x5,14x6]	P[3]	5:3:2:	6:6:6:6:3:	5:3:2:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P[3]-3:	C[3x3,4,3x5,14x6]-5:P[3]-3:S[3]-2:	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]P[3]S[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]P[3]S[3]){1|B<6>,1|C<3>,1|C<5>,5|H<1>}	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]S[3])(S[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	100.7280	2.679	2	100.7280	7.174	2	100.7280	7.174	2	100.6733	4.944	4	100.6733	4.944	4	100.6733	4.944	4
852	778	852	0:SP3_SP3_SPD5	P[3]	C[3x3,4,3x5,14x6]	P[3]	5:3:2:	6:6:6:6:3:	5:3:2:	C[3x3,4,3x5,14x6]-5:P[3]-3:Se[3]-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P[3]-3:	C[3x3,4,3x5,14x6]-5:P[3]-3:Se[3]-2:	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]Se[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3])	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(P[3]Se[3]P[3]){1|B<6>,1|C<3>,1|C<5>,5|H<1>}	P[3](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(P[3]C[3x3,4,3x5,14x6]Se[3])(Se[3]P[3]){1|C<5>,4|H<1>,9|B<6>}	100.6187	2.765	2	100.6187	7.647	2	100.6187	7.647	2	100.6733	4.944	4	100.6733	4.944	4	100.6733	4.944	4
852	818	852	0:SP3_SP2_SP3	P[3]	C[5]	P[3,3]	3:3:3:	3:3:3:	3:3:3:	P[3,3]-3:P[3,3]-3:C[5]-3:	P[3]-3:C[5]-3:N[5]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5])	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](P[3]P[3,3]2)(C[5]N[5]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|P<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	100.3898	2.720	2	100.3898	7.397	2	100.3898	7.397	2	100.3898	7.397	2	100.3898	7.397	2	103.1860	35.290	10
852	818	852	0:SP3_SP2_SP3	P[3]	C[5]	P[3]	3:3:3:	3:3:3:	3:3:3:	P[3]-3:P[3]-3:C[5]-3:	N[5]-3:N[5]-3:P[3]-3:	P[3]-3:P[3]-3:C[5]-3:	P[3](P[3]C[5]P[3])2(C[5]N[5]2)	C[5](N[5]C[5]C)2(P[3]P[3]2)	P[3](P[3]C[5]P[3])2(C[5]N[5]2)	P[3](P[3]C[5]P[3])2(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	C[5](N[5]C[5]C)2(P[3]P[3]2){2|C<3>,2|C<4>}	P[3](P[3]C[5]P[3])2(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	105.0707	7.160	6	105.0707	51.261	6	105.0707	51.261	6	105.0707	51.261	6	103.8850	41.524	8	103.1860	35.290	10
852	818	852	0:SP3_SP2_SP3	P[3]	C[5]	P[3]	3:4:3:	3:3:3:	3:4:3:	P[3]-3:B[3]-4:C[5]-3:	N[5]-3:N[5]-3:P[3]-3:	P[3]-3:B[3]-4:C[5]-3:	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2)	C[5](N[5]C[6a]C[5])2(P[3]B[3]P[3])	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2)	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2){2|N<3>,4|C<3>}	C[5](N[5]C[6a]C[5])2(P[3]B[3]P[3]){4|H<1>,5|C<3>}	P[3](P[3]B[3]C[5])(B[3]P[3]HH)(C[5]N[5]2){2|N<3>,4|C<3>}	100.3278	0.787	2	100.3278	0.619	2	100.3278	0.619	2	100.3278	0.619	2	103.8850	41.524	8	103.1860	35.290	10
852	818	852	5:SP3_SP2_SP3	P[3,5]	C[5]	P[3,5,5]	4:3:3:	3:2:4:	4:4:3:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	P[3,5]-3:P[5]-2:C-4:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3)	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	C[5](P[3,5]P[3,5,5]C[3,5])(P[5]C[5,5])(CC3){2|C<4>,2|P<3>}	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	98.2831	0.164	2	98.2831	0.027	2	98.2831	0.027	2	98.2831	0.027	2	98.2831	0.027	2	96.5691	7.247	5
852	818	852	5:SP3_SP2_SP3	P[3,5]	C[5]	P[3,5]	3:3:3:	3:2:4:	3:3:3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5]-3:P[5]-2:C-4:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C)	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]P[5]C){3|C<3>}	C[5](P[3,5]P[3,5]N[3])(P[5]N[5])(CC3){2|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]P[5]){1|C<4>,4|C<3>}	96.7976	0.000	1	96.7976	0.000	1	96.7976	0.000	1	96.7976	0.000	1	95.4264	9.584	3	96.5691	7.247	5
852	818	852	5:SP3_SP2_SP3	P[3,5]	C[5]	P[3,5]	3:3:3:	3:3:1:	3:3:3:	N[3]-3:P[3,5]-3:C[5]-3:	P[3,5]-3:C[5]-3:H-1:	N[3]-3:P[3,5]-3:N[5]-3:	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H)	C[5](P[3,5]P[3,5]N[3])(C[5]N[5]H)(H)	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5])	P[3,5](N[3]P[3,5]C[6a])(P[3,5]N[3]N[5])(C[5]C[5]H){1|H<1>,3|C<3>}	C[5](P[3,5]P[3,5]N[3])(C[5]N[5]H)(H){2|C<3>}	P[3,5](N[3]P[3,5]C[6a])(P[3,5]C[5]N[3])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	91.8818	0.000	1	91.8818	0.000	1	91.8818	0.000	1	91.8818	0.000	1	95.4264	9.584	3	96.5691	7.247	5
852	818	852	5:SP3_SP2_SP3	P[3,5]	C[5]	P[3,5]	3:4:3:	3:2:4:	3:4:4:	P[3,5]-3:C[3]-4:C[5]-3:	P[3,5]-3:P[5]-2:C-4:	P[3,5]-3:C[3]-4:C[5]-4:	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	C[5](P[3,5]P[3,5]C[3])(P[5]C[5])(CC3){2|C<4>,2|H<1>}	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	97.5998	0.000	1	97.5998	0.000	1	97.5998	0.000	1	97.5998	0.000	1	95.4264	9.584	3	96.5691	7.247	5
852	852	852	0:SP3_SP3_SP3	P[3,3]	P[3]	P[3]	3:3:3:	3:3:3:	3:3:3:	P[3,3]-3:P[3]-3:P[3]-3:	P[3,3]-3:P[3,3]-3:P-3:	P[3,3]-3:P[3,3]-3:P-3:	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3](P[3,3]P[3,3]P[3])2(PNN)	P[3](P[3,3]P[3,3]P[3])2(PNN)	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3](P[3,3]P[3,3]P[3])2(PNN){1|P<3>}	P[3](P[3,3]P[3,3]P[3])2(PNN){1|P<3>}	80.5811	0.166	2	80.5811	0.028	2	80.5811	0.028	2	80.5811	0.028	2	80.1551	0.255	4	80.1551	0.255	4
852	852	852	0:SP3_SP3_SP3	P[3,3]	P[3]	P[3]	3:3:3:	3:3:3:	3:3:4:	P[3]-3:P[3,3]-3:P[3]-3:	P[3,3]-3:P[3,3]-3:C[5]-3:	P[3,3]-3:P[3,3]-3:B-4:	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5])	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3){1|C<3>}	79.7290	0.106	2	79.7290	0.011	2	79.7290	0.011	2	79.7290	0.011	2	80.1551	0.255	4	80.1551	0.255	4
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,3,4]	P[3,4,4]	3:3:3:	3:3:3:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:C[4,4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	60.6599	0.477	4	60.6599	0.227	4	60.6599	0.227	4	60.9552	0.112	24	60.8362	0.296	26	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,3,4]	P[3,4,4]	3:3:3:	3:3:3:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl){2|C<3>}	61.0229	0.267	8	61.0229	0.071	8	61.0143	0.078	20	60.9552	0.112	24	60.8362	0.296	26	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,3,4]	P[3,4,4]	3:3:3:	3:3:3:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	61.0085	0.299	12	61.0085	0.089	12	61.0143	0.078	20	60.9552	0.112	24	60.8362	0.296	26	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,3,4]	P[3,4,4]	3:4:3:	3:4:3:	3:3:3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si){1|C<3>}	59.4075	0.631	2	59.4075	0.398	2	59.4075	0.398	2	59.4075	0.398	2	60.8362	0.296	26	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,3,4]	3:3:3:	3:3:4:	3:3:3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<3>,2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	61.2452	0.141	4	61.1707	0.076	24	61.1707	0.076	24	61.1707	0.076	24	61.1707	0.076	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,3,4]	3:3:3:	3:3:4:	3:3:3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<4>,2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	61.2557	0.436	4	61.1707	0.076	24	61.1707	0.076	24	61.1707	0.076	24	61.1707	0.076	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,3,4]	3:3:3:	3:3:4:	3:3:3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){3|Si<4>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	61.1308	0.263	16	61.1707	0.076	24	61.1707	0.076	24	61.1707	0.076	24	61.1707	0.076	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3,5]	P[3,3,5]	P[3,5,5]	3:4:3:	3:4:3:	3:3:3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,3,5]-3:P[3,3,5]-3:N[5,5]-3:	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a]){1|H<1>,1|O<2>,3|C<3>}	59.8415	0.565	2	59.8415	0.319	2	59.8415	0.319	2	59.8415	0.319	2	59.8415	0.319	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3]	P[3,3]	P[3]	3:3:3:	3:3:3:	3:3:4:	P[3]-3:P[3,3]-3:P[3]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3,3]-3:P[3,3]-3:B-4:	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3){1|C<3>}	60.6755	0.318	2	60.6755	0.101	2	60.6755	0.101	2	60.6755	0.101	2	60.6755	0.101	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3]	P[3]	P[3,3]	3:3:3:	3:3:3:	3:3:3:	P[3,3]-3:P[3]-3:P[3]-3:	P[3,3]-3:P[3,3]-3:P-3:	P[3,3]-3:P[3]-3:P[3]-3:	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3](P[3,3]P[3,3]P[3])2(PNN)	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3](P[3,3]P[3,3]P[3])2(PNN){1|P<3>}	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	60.7644	0.150	4	60.7644	0.022	4	60.7644	0.022	4	60.7067	0.081	6	60.7067	0.081	6	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3]	P[3]	P[3,3]	3:3:3:	3:3:3:	3:3:3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3,3]-3:P[3,3]-3:C[5]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5])	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	60.5913	0.546	2	60.5913	0.298	2	60.5913	0.298	2	60.7067	0.081	6	60.7067	0.081	6	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,3x5]	P[3,3x5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:2:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,3x5]-3:P[3,3x5]-3:P[5,5]-2:	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5])	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5]){1|In<4>}	59.7989	0.075	2	59.7989	0.006	2	59.7989	0.006	2	59.7989	0.006	2	59.7989	0.006	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:3:	3:4:3:	3:4:3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si){1|C<3>}	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	61.1850	0.000	1	61.1850	0.000	1	61.1850	0.000	1	61.1850	0.000	1	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:4:	3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:C[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	58.6803	0.136	2	58.6803	0.018	2	58.6803	0.018	2	57.8789	0.137	23	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:4:	3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<3>,2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	57.5097	0.037	2	57.6587	0.032	12	57.6587	0.032	12	57.8789	0.137	23	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:4:	3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<4>,2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	57.4885	0.032	2	57.6587	0.032	12	57.6587	0.032	12	57.8789	0.137	23	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:4:	3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){3|Si<4>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	57.7385	0.168	8	57.6587	0.032	12	57.6587	0.032	12	57.8789	0.137	23	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:4:	3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl){2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	57.9541	0.364	4	57.9541	0.132	4	57.9946	0.083	9	57.8789	0.137	23	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3,3,4]	3:3:4:	3:3:3:	3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	58.0269	0.254	5	58.0269	0.065	5	57.9946	0.083	9	57.8789	0.137	23	58.0167	0.587	24	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,4]	P[3,4,5]	P[3,4,5]	3:3:3:	3:3:4:	3:3:4:	P[3,4,5]-3:P[3,4,5]-3:P[4,4,5]-3:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2){2|Si<4>,2|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	58.9092	0.000	1	58.9092	0.000	1	58.9092	0.000	1	58.9092	0.000	1	58.9092	0.000	1	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,4,5]	P[3,4,5]	P[3,4,4]	3:3:4:	3:3:4:	3:3:3:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,5]-3:P[3,4,5]-3:P[4,4,5]-3:	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2){2|Si<4>,2|N<2>}	60.5454	0.273	2	60.5454	0.074	2	60.5454	0.074	2	60.5454	0.074	2	60.5454	0.074	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5,6]	P[3,5,5,6]	P[3,5,5]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,5,6]-3:P[5,5]-3:	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P)	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P){2|P<3>}	59.8918	0.058	2	59.8918	0.003	2	59.8918	0.003	2	59.8918	0.003	2	59.7403	0.042	4	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5,6]	P[3,5,5,6]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,5,6]-3:C[5,5]-4:	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2)	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2){2|P<3>,4|C<3>}	59.5889	0.176	2	59.5889	0.031	2	59.5889	0.031	2	59.5889	0.031	2	59.7403	0.042	4	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,3,5]	P[3,3,5]	3:3:3:	3:4:3:	3:4:3:	P[3,3,5]-3:P[3,3,5]-3:N[5,5]-3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,3,5]-3:C[3,5,5]-4:P[3,5,5]-3:	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5])	P[3,5,5](P[3,3,5]C[3,5,5]P[3,3,5])2(N[5,5]C[5,5]C[6a]){1|H<1>,1|O<2>,3|C<3>}	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	P[3,3,5](P[3,3,5]C[3,5,5]P[3,5,5])(C[3,5,5]P[3,3,5]C[5,5]O)(P[3,5,5]P[3,3,5]N[5,5]){1|H<1>,2|C<3>}	60.3169	0.000	1	60.3169	0.000	1	60.3169	0.000	1	60.3169	0.000	1	60.3169	0.000	1	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,3x5]	P[3,3x5]	3:3:2:	3:3:3:	3:3:3:	P[3,3x5]-3:P[3,3x5]-3:P[5,5]-2:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5])	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5]){1|In<4>}	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	60.4021	0.000	1	60.4021	0.000	1	60.4021	0.000	1	60.4021	0.000	1	60.4021	0.000	1	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5,6]	P[3,5,5,6]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5,6]-3:P[5,5]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P)	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(P[5,5]P[4x5]P){2|P<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]P[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|P<2>,2|P<3>}	60.2165	0.000	1	60.2165	0.000	1	60.2165	0.000	1	60.2165	0.000	1	60.5194	0.183	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5,6]	P[3,5,5,6]	3:3:4:	3:3:3:	3:3:3:	P[3,5,5,6]-3:P[3,5,5,6]-3:C[5,5]-4:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5,6]-3:P[3,5,5]-3:P[3x5,6]-3:	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2)	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5])	P[3,5,5](P[3,5,5,6]P[3,5,5,6]P[3x5,6])2(C[5,5]P[4x5]C[6a]2){2|P<3>,4|C<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	P[3,5,5,6](P[3,5,5,6]P[3,5,5]P[3x5,6])(P[3,5,5]P[3,5,5,6]C[5,5])(P[3x5,6]P[3,5,6]P[4x5]){1|Nb<5>,1|P<3>,2|C<3>}	60.8223	0.000	1	60.8223	0.000	1	60.8223	0.000	1	60.8223	0.000	1	60.5194	0.183	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:2:	3:3:2:	3:3:2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	60.3276	1.914	5	60.3276	3.664	5	60.3276	3.664	5	60.3276	3.664	5	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:2:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]){1|Zn<4>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	59.5776	0.000	1	59.5776	0.000	1	59.5776	0.000	1	59.5776	0.000	1	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:2:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]){1|Zn<4>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	60.2112	0.330	2	60.2112	0.109	2	60.2112	0.109	2	60.2112	0.109	2	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]H)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag){1|Ag<3>,1|H<1>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag){1|Ag<3>,1|H<1>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]H){2|Ag<3>}	59.9534	0.218	2	59.9534	0.047	2	60.0000	0.030	3	60.0000	0.030	3	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]H)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]H){2|Ag<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag){1|Ag<3>,1|H<1>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Ag){1|Ag<3>,1|H<1>}	60.0932	0.000	1	60.0932	0.000	1	60.0000	0.030	3	60.0000	0.030	3	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2){2|P<3>,4|C<3>}	60.2385	0.114	4	60.2385	0.013	4	60.2385	0.013	4	60.2380	0.018	8	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	60.3484	0.000	1	60.3814	0.002	2	60.2376	0.029	4	60.2380	0.018	8	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	60.4144	0.000	1	60.3814	0.002	2	60.2376	0.029	4	60.2380	0.018	8	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	60.0679	0.000	1	60.0939	0.001	2	60.2376	0.029	4	60.2380	0.018	8	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:3:	3:3:3:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	60.1198	0.000	1	60.0939	0.001	2	60.2376	0.029	4	60.2380	0.018	8	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:4:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2){2|P<3>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	59.5232	0.028	2	59.5232	0.001	2	59.5232	0.001	2	59.5239	0.003	4	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:4:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	59.5837	0.000	1	59.5247	0.007	2	59.5247	0.007	2	59.5239	0.003	4	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:4:	3:3:3:	3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	59.4658	0.000	1	59.5247	0.007	2	59.5247	0.007	2	59.5239	0.003	4	60.0712	0.773	23	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,5,6]	P[3,5,6]	P[3]	3:3:3:	3:3:3:	3:3:2:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3,5,6]-3:P[3,5,6]-3:P-2:	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5])	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5]){3|P<3>}	60.0820	0.371	2	60.0820	0.137	2	60.0820	0.137	2	60.0820	0.137	2	60.0820	0.137	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3,6]	P[3,6]	P[3]	3:3:4:	3:3:4:	3:3:2:	P[3,6]-3:P[3]-3:C[6]-4:	P[3,6]-3:P[3]-3:C[6]-4:	P[3,6]-3:P[3,6]-3:P-2:	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	P[3](P[3,6]P[3,6]C[6])2(PC[5])	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	P[3](P[3,6]P[3,6]C[6])2(PC[5]){2|C<3>,4|H<1>}	60.1808	0.054	2	60.1808	0.003	2	60.1808	0.003	2	60.1808	0.003	2	60.1808	0.003	2	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3,3]	P[3,3]	3:3:3:	3:3:3:	3:3:3:	P[3,3]-3:P[3,3]-3:C[5]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5])	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(C[5]C[5]N[5]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	58.8175	0.000	1	58.8175	0.000	1	58.8175	0.000	1	58.5866	0.046	3	58.6022	0.032	4	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3,3]	P[3,3]	3:3:3:	3:3:3:	3:3:3:	P[3,3]-3:P[3,3]-3:P-3:	P[3,3]-3:P[3]-3:P[3]-3:	P[3,3]-3:P[3]-3:P[3]-3:	P[3](P[3,3]P[3,3]P[3])2(PNN)	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3](P[3,3]P[3,3]P[3])2(PNN){1|P<3>}	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	58.4711	0.108	2	58.4711	0.012	2	58.4711	0.012	2	58.5866	0.046	3	58.6022	0.032	4	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3,3]	P[3,3]	3:3:4:	3:3:3:	3:3:3:	P[3,3]-3:P[3,3]-3:B-4:	P[3]-3:P[3,3]-3:P[3]-3:	P[3]-3:P[3,3]-3:P[3]-3:	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B)	P[3](P[3,3]P[3,3]P[3])2(BC[6a]3){1|C<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	P[3,3](P[3]P[3,3]C[5])(P[3,3]P[3]2)(P[3]P[3,3]B){1|C<3>,1|N<3>}	58.6490	0.000	1	58.6490	0.000	1	58.6490	0.000	1	58.6490	0.000	1	58.6022	0.032	4	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3,5,6]	P[3,5,6]	3:3:2:	3:3:3:	3:3:3:	P[3,5,6]-3:P[3,5,6]-3:P-2:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5])	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5]){3|P<3>}	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	59.8359	0.000	1	59.8359	0.000	1	59.8359	0.000	1	59.8359	0.000	1	59.8359	0.000	1	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3,6]	P[3,6]	3:3:2:	3:3:4:	3:3:4:	P[3,6]-3:P[3,6]-3:P-2:	P[3,6]-3:P[3]-3:C[6]-4:	P[3,6]-3:P[3]-3:C[6]-4:	P[3](P[3,6]P[3,6]C[6])2(PC[5])	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	P[3](P[3,6]P[3,6]C[6])2(PC[5]){2|C<3>,4|H<1>}	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	59.6385	0.000	1	59.6385	0.000	1	59.6385	0.000	1	59.6385	0.000	1	59.6385	0.000	1	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3]	P[3]	3:3:3:	3:3:3:	3:3:3:	P[3]-3:P[3]-3:C[5]-3:	P[3]-3:P[3]-3:C[5]-3:	P[3]-3:P[3]-3:C[5]-3:	P[3](P[3]C[5]P[3])2(C[5]N[5]2)	P[3](P[3]C[5]P[3])2(C[5]N[5]2)	P[3](P[3]C[5]P[3])2(C[5]N[5]2)	P[3](P[3]C[5]P[3])2(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	P[3](P[3]C[5]P[3])2(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	P[3](P[3]C[5]P[3])2(C[5]N[5]2){2|C<3>,2|C<4>,4|N<3>}	60.0000	0.714	3	60.0000	0.510	3	60.0000	0.510	3	60.0000	0.633	6	60.0000	0.633	6	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3]	P[3]	P[3]	3:3:3:	3:3:3:	3:3:3:	P[3]-3:P[3]-3:C[6a]-3:	P[3]-3:P[3]-3:C[6a]-3:	P[3]-3:P[3]-3:C[6a]-3:	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2)	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2)	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2)	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2){2|C<4>,6|C<3>}	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2){2|C<4>,6|C<3>}	P[3](P[3]C[6a]P[3])2(C[6a]C[6a]2){2|C<4>,6|C<3>}	60.0000	1.035	3	60.0000	1.072	3	60.0000	1.072	3	60.0000	0.633	6	60.0000	0.633	6	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3x3]	P[3x3]	P[3x3]	3:3:6:	3:3:6:	3:3:6:	P[3x3]-3:P[3x3]-3:Nb[3x3]-6:	P[3x3]-3:P[3x3]-3:Nb[3x3]-6:	P[3x3]-3:P[3x3]-3:Nb[3x3]-6:	P[3x3](P[3x3]Nb[3x3]P[3x3])2(Nb[3x3]P[3x3]2N3)	P[3x3](P[3x3]Nb[3x3]P[3x3])2(Nb[3x3]P[3x3]2N3)	P[3x3](P[3x3]Nb[3x3]P[3x3])2(Nb[3x3]P[3x3]2N3)	P[3x3](P[3x3]Nb[3x3]P[3x3])2(Nb[3x3]P[3x3]2N3)	P[3x3](P[3x3]Nb[3x3]P[3x3])2(Nb[3x3]P[3x3]2N3)	P[3x3](P[3x3]Nb[3x3]P[3x3])2(Nb[3x3]P[3x3]2N3)	60.0000	0.063	3	60.0000	0.004	3	60.0000	0.004	3	60.0000	0.004	3	60.0000	0.087	6	60.0273	1.455	142
852	852	852	3:SP3_SP3_SP3	P[3x3]	P[3x3]	P[3x3]	4:3:3:	4:3:3:	4:3:3:	P[3x3]-4:P[3x3]-3:P[3x3]-3:	P[3x3]-4:P[3x3]-3:P[3x3]-3:	P[3x3]-4:P[3x3]-3:P[3x3]-3:	P[3x3](P[3x3]P[3x3]2Ru)(P[3x3]P[3x3]2)2	P[3x3](P[3x3]P[3x3]2Ru)(P[3x3]P[3x3]2)2	P[3x3](P[3x3]P[3x3]2Ru)(P[3x3]P[3x3]2)2	P[3x3](P[3x3]P[3x3]2Ru)(P[3x3]P[3x3]2)2	P[3x3](P[3x3]P[3x3]2Ru)(P[3x3]P[3x3]2)2	P[3x3](P[3x3]P[3x3]2Ru)(P[3x3]P[3x3]2)2	60.0000	0.463	3	60.0000	0.215	3	60.0000	0.215	3	60.0000	0.215	3	60.0000	0.087	6	60.0273	1.455	142
852	852	852	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,4,4]	3:3:3:	3:3:4:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:C[4,4]-4:	P[3,3,4]-3:P[3,3,4]-3:C[4,4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	P[3,3,4](P[3,4,4]P[3,3,4]C[4,4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(C[4,4]P[3,4,4]NN)	76.5638	0.168	2	76.5638	0.028	2	76.5638	0.028	2	86.5170	9.682	24	86.5170	9.682	24	86.5170	9.682	24
852	852	852	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,4,4]	3:3:3:	3:3:4:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<3>,2|C<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<3>,2|C<3>}	87.8374	0.146	2	87.6923	0.124	12	87.6923	0.124	12	86.5170	9.682	24	86.5170	9.682	24	86.5170	9.682	24
852	852	852	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,4,4]	3:3:3:	3:3:4:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<4>,2|C<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<4>,2|C<3>}	88.0376	0.565	2	87.6923	0.124	12	87.6923	0.124	12	86.5170	9.682	24	86.5170	9.682	24	86.5170	9.682	24
852	852	852	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,4,4]	3:3:3:	3:3:4:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){3|Si<4>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){3|Si<4>}	87.5698	0.299	8	87.6923	0.124	12	87.6923	0.124	12	86.5170	9.682	24	86.5170	9.682	24	86.5170	9.682	24
852	852	852	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,4,4]	3:3:3:	3:3:4:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl){2|C<3>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl){2|C<3>}	87.1554	0.954	4	87.1554	0.911	4	87.0973	0.358	10	86.5170	9.682	24	86.5170	9.682	24	86.5170	9.682	24
852	852	852	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	P[3,4,4]	3:3:3:	3:3:4:	3:3:4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	87.0585	0.306	6	87.0585	0.094	6	87.0973	0.358	10	86.5170	9.682	24	86.5170	9.682	24	86.5170	9.682	24
852	852	852	5:SP3_SP3_SP3	P[3,5,5]	P[3,5,5]	P[3,5,5]	3:3:4:	3:3:4:	3:3:4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-4:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Li2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Li2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Li2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Li2){1|Li<4>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Li2){1|Li<4>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Li2){1|Li<4>}	60.0000	0.000	1	60.0000	0.000	1	60.0000	0.000	1	60.0000	0.000	1	60.0000	0.000	1	60.0000	0.000	1
852	852	872	3:SP3_SP3_SP3	P[3,3,4]	P[3,3,4]	Si[3,4,4]	3:4:3:	3:4:3:	3:3:3:3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	59.9226	0.852	2	59.9226	0.726	2	59.9226	0.726	2	59.9226	0.726	2	59.9226	0.726	2	59.9226	0.726	2
852	852	872	4:SP3_SP3_SP3	P[3,3,4]	P[3,4,4]	Si[3,4,4]	3:4:3:	3:3:3:	3:3:3:3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-3:	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si)	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si){1|C<3>}	Si[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]Si)(CC[5]H)	75.8852	0.108	2	75.8852	0.012	2	75.8852	0.012	2	75.8852	0.012	2	75.8852	0.012	2	75.8852	0.012	2
852	852	882	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[4,4]	3:3:3:	3:4:3:	4:3:4:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:	P[3,3,4]-3:Si[3,4,4]-4:P[3,4,4]-3:	Si[3,4,4]-4:P[3,4,4]-3:Si-4:	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si)	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4])	P[4,4](Si[3,4,4]P[3,3,4]2C)(P[3,4,4]P[3,3,4]2)(SiSi3)	P[3,4,4](P[3,3,4]Si[3,4,4]P[3,3,4])2(P[4,4]Si[3,4,4]Si){1|C<3>}	P[3,3,4](P[3,3,4]Si[3,4,4]P[3,4,4])(Si[3,4,4]P[3,3,4]P[4,4]C)(P[3,4,4]P[3,3,4]P[4,4]){1|Si<4>}	P[4,4](Si[3,4,4]P[3,3,4]2C)(P[3,4,4]P[3,3,4]2)(SiSi3)	96.1048	3.600	2	96.1048	12.960	2	96.1048	12.960	2	96.1048	12.960	2	96.1048	12.960	2	92.5370	43.573	5
852	852	882	4:SP3_SP3_SP3	P[3,4,4]	P[3,4,5]	P[4,4,5]	3:3:3:	3:3:4:	4:4:3:	P[3,4,5]-3:P[3,4,5]-3:P[4,4,5]-3:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	Si[4,5]-4:Si[4,5]-4:P[3,4,4]-3:	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2){2|Si<4>,2|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[4,4,5](Si[4,5]P[3,4,5]SiN)2(P[3,4,4]P[3,4,5]2)	94.6055	0.491	2	94.6055	0.241	2	94.6055	0.241	2	94.6055	0.241	2	94.6055	0.241	2	92.5370	43.573	5
852	852	882	4:SP3_SP3_SP3	P[3,4,5,6]	P[3,4,4]	P[4,5,5,6]	4:3:3:	4:3:4:	4:3:3:	C[3,4,5,6]-4:P[3,4,4]-3:P[4,5,5,6]-3:	C[3,4,5,6]-4:P[3,4,5,6]-3:C[4,4,5,5]-4:	C[4,4,5,5]-4:P[3,4,5,6]-3:C[5,6]-3:	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6])	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C)	P[4,5,5,6](C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(P[3,4,5,6]C[3,4,5,6]P[3,4,4])(C[5,6]C[5,6]C)	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C){1|H<1>,2|C<3>}	P[4,5,5,6](C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(P[3,4,5,6]C[3,4,5,6]P[3,4,4])(C[5,6]C[5,6]C){1|H<1>,2|C<4>}	81.2642	0.000	1	81.2642	0.000	1	81.2642	0.000	1	81.2642	0.000	1	81.2642	0.000	1	92.5370	43.573	5
852	852	882	5:SP3_SP3_SP3	P[3,3x5]	P[3,3x5]	P[4,3x5]	3:3:3:	3:3:3:	3:3:4:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,3x5]-3:P[4,3x5]-3:In[4,5]-4:	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[4,3x5](P[3,3x5]P[3,3x5]P[3,5,5])(P[4,3x5]P[4,3x5]P[5,5])(In[4,5]P[4,3x5]C[6a]2)	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[4,3x5](P[3,3x5]P[3,3x5]P[3,5,5])(P[4,3x5]P[4,3x5]P[5,5])(In[4,5]P[4,3x5]C[6a]2){4|C<3>}	104.1565	0.793	2	104.1565	0.628	2	104.1565	0.628	2	104.1565	0.628	2	104.1565	0.628	2	103.8937	0.753	4
852	852	882	5:SP3_SP3_SP3	P[3,3x5]	P[3,5,5]	P[4,3x5]	3:3:3:	3:3:2:	3:3:4:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,3x5]-3:P[3,3x5]-3:P[5,5]-2:	P[3,3x5]-3:P[4,3x5]-3:In[4,5]-4:	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5])	P[4,3x5](P[3,3x5]P[3,3x5]P[3,5,5])(P[4,3x5]P[4,3x5]P[5,5])(In[4,5]P[4,3x5]C[6a]2)	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5]){1|In<4>}	P[4,3x5](P[3,3x5]P[3,3x5]P[3,5,5])(P[4,3x5]P[4,3x5]P[5,5])(In[4,5]P[4,3x5]C[6a]2){4|C<3>}	103.6310	1.164	2	103.6310	1.355	2	103.6310	1.355	2	103.6310	1.355	2	103.6310	1.355	2	103.8937	0.753	4
852	852	885	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,5,5]	Ga[5,5,6]	3:3:4:	3:3:3:	3:3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5,6]-3:	P[3,5,5]-3:P[3x5,6]-3:N[6]-3:N[6]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6])	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(P[3x5,6]P[5,5,6]2)(N[6]C[6a]C[6])2	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5,6])2(Ga[5,5,6]P[3x5,6]N[6]2){2|P<3>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5,6])(P[5,5,6]P[3x5,6]P[5,5,6]){2|N<3>,3|P<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(P[3x5,6]P[5,5,6]2)(N[6]C[6a]C[6])2{2|C<4>,2|P<3>,5|C<3>}	100.2266	0.274	4	100.2266	0.075	4	100.2266	0.075	4	100.6629	0.470	8	100.6629	0.470	8	100.6629	0.470	8
852	852	885	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,5,5]	Ga[5,5,6]	3:3:4:	3:3:3:	3:3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:N[6]-3:N[6]-3:P[3x5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C)	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]C){1|Ga<4>,2|N<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2){1|Ga<4>,3|C<4>,5|C<3>}	101.7100	0.042	2	101.7100	0.002	2	101.0992	0.515	4	100.6629	0.470	8	100.6629	0.470	8	100.6629	0.470	8
852	852	885	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,5,5]	Ga[5,5,6]	3:3:4:	3:3:3:	3:3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:N[6]-3:N[6]-3:P[3x5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|C<4>,1|O<2>,4|N<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2){1|Ga<4>,3|C<4>,5|C<3>}	100.6480	0.000	1	100.4885	0.051	2	101.0992	0.515	4	100.6629	0.470	8	100.6629	0.470	8	100.6629	0.470	8
852	852	885	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,5,5]	Ga[5,5,6]	3:3:4:	3:3:3:	3:3:3:3:	P[3,5,5]-3:P[3,5,5]-3:Ga[5,5,6]-4:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:N[6]-3:N[6]-3:P[3x5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2)	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6])	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(Ga[5,5,6]P[3x5]N[6]2){1|Ga<4>,1|C<4>,4|C<3>}	P[3,5,5](P[3,5,5]Ga[5,5,6]P[3,5,5])(P[3,5,5]P[3,5,5]P[5,5])(P[5,5]P[3x5]Ga[6]){1|Cl<1>,1|C<4>,4|N<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2){1|Ga<4>,3|C<4>,5|C<3>}	100.3290	0.000	1	100.4885	0.051	2	101.0992	0.515	4	100.6629	0.470	8	100.6629	0.470	8	100.6629	0.470	8
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3x4]	3:3:4:	3:3:3:	3:3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:N[4]-3:N[4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]C[6a]P[4])2	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<3>,2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]C[6a]P[4])2{1|Cl<1>,4|C<3>}	82.1950	1.601	4	82.1950	2.564	4	82.5318	1.606	24	82.5318	1.606	24	82.5318	1.606	24	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3x4]	3:3:4:	3:3:3:	3:3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:N[4]-3:N[4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]P[3x4]C[6a])2	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){1|P<4>,2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]P[3x4]C[6a])2{2|P<3>,4|C<3>}	81.5653	2.308	4	81.5653	5.327	4	82.5318	1.606	24	82.5318	1.606	24	82.5318	1.606	24	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3x4]	3:3:4:	3:3:3:	3:3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:N[4]-3:N[4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]Si[4,4]Si)2	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){3|Si<4>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]Si[4,4]Si)2{2|N<3>}	82.8132	0.745	12	82.8132	0.555	12	82.5318	1.606	24	82.5318	1.606	24	82.5318	1.606	24	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[3x4]	3:3:4:	3:3:3:	3:3:3:3:	P[3,3,4]-3:P[3,3,4]-3:P[3x4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:N[4]-3:N[4]-3:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2)	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2)	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]Si[4]Si)2	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[3x4]P[3,4,4]N[4]2){3|Si<4>}	P[3,3,4](P[3,4,4]P[3,3,4]P[3x4])2(P[3,3,4]P[3,4,4]2){2|N<3>}	P[3x4](P[3,4,4]P[3,3,4]2)2(N[4]Si[4]Si)2{2|Cl<1>}	82.9909	0.623	4	82.9909	0.389	4	82.5318	1.606	24	82.5318	1.606	24	82.5318	1.606	24	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[4,4]	3:3:4:	3:3:3:	3:3:3:1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:C[6a]-3:Cl-1:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl){2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl){2|C<3>,2|F<1>}	82.0957	1.947	4	83.1156	2.960	8	83.1156	2.960	8	83.1156	2.960	8	83.1832	2.435	20	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[4,4]	3:3:4:	3:3:3:	3:3:3:1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:C[6a]-3:Cl-1:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]C[6a]Cl){2|C<3>}	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<3>}	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl){2|C<3>,2|H<1>}	84.1355	0.586	4	83.1156	2.960	8	83.1156	2.960	8	83.1156	2.960	8	83.1832	2.435	20	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[4,4]	3:3:4:	3:3:3:	3:3:4:1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:C-4:Cl-1:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[4,4](P[3,4,4]P[3,3,4]2)2(CCCH)(Cl)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	P[4,4](P[3,4,4]P[3,3,4]2)2(CCCH)(Cl)	83.3215	1.733	8	83.3215	3.003	8	83.2283	2.317	12	83.2283	2.317	12	83.1832	2.435	20	82.8279	2.042	44
852	852	917	4:SP3_SP3_SP3	P[3,4,4]	P[3,3,4]	P[4,4]	3:3:4:	3:3:3:	3:3:4:1:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-4:	P[3,4,4]-3:P[3,4,4]-3:P[3,3,4]-3:	P[3,4,4]-3:P[3,4,4]-3:C-4:Cl-1:	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2)	P[4,4](P[3,4,4]P[3,3,4]2)2(CCHH)(Cl)	P[3,4,4](P[3,3,4]P[3,3,4]P[3,4,4])2(P[4,4]P[3,4,4]ClC)	P[3,3,4](P[3,4,4]P[3,3,4]P[4,4])2(P[3,3,4]P[3,4,4]2){1|Cl<1>,1|C<4>}	P[4,4](P[3,4,4]P[3,3,4]2)2(CCHH)(Cl)	83.0420	1.191	4	83.0420	1.419	4	83.2283	2.317	12	83.2283	2.317	12	83.1832	2.435	20	82.8279	2.042	44
852	852	940	0:SP3_SP-NON_SP3	P[3]	P[3,5,6]	P	3:3:2:	3:3:3:	3:3:	P[3,5,6]-3:P[3,5,6]-3:P-2:	P[3x5,6]-3:P[3,5,6]-3:P[3]-3:	P[3]-3:C[5]-3:	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5])	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P)	P(P[3]P[3,5,6]2)(C[5]N[5]2)	P[3](P[3,5,6]P[3,5,6]P[3x5,6])2(PC[5]){3|P<3>}	P[3,5,6](P[3x5,6]P[3,5,5,6]P[4x5])(P[3,5,6]P[3x5,6]P[3])(P[3]P[3,5,6]P){3|P<3>}	P(P[3]P[3,5,6]2)(C[5]N[5]2)	93.5117	5.265	2	93.5117	27.716	2	93.5117	27.716	2	93.5117	27.716	2	93.5117	27.716	2	94.8224	20.889	4
852	852	940	0:SP3_SP-NON_SP3	P[3]	P[3,6]	P	3:3:2:	3:3:4:	3:3:	P[3,6]-3:P[3,6]-3:P-2:	P[3,6]-3:P[3]-3:C[6]-4:	P[3]-3:C[5]-3:	P[3](P[3,6]P[3,6]C[6])2(PC[5])	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH)	P(P[3]P[3,6]2)(C[5]N[5]2)	P[3](P[3,6]P[3,6]C[6])2(PC[5]){2|C<3>,4|H<1>}	P[3,6](P[3,6]C[6]P[3])(P[3]P[3,6]P)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	P(P[3]P[3,6]2)(C[5]N[5]2)	96.1332	5.299	2	96.1332	28.078	2	96.1332	28.078	2	96.1332	28.078	2	96.1332	28.078	2	94.8224	20.889	4
852	852	945	0:SP3_SP3_SP3	P[3]	P[3,3]	P	3:3:3:	3:3:3:	3:3:3:	P[3,3]-3:P[3,3]-3:P-3:	P[3,3]-3:P[3]-3:P[3]-3:	P[3]-3:N-3:N-3:	P[3](P[3,3]P[3,3]P[3])2(PNN)	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P(P[3]P[3,3]2)(NCC)2	P[3](P[3,3]P[3,3]P[3])2(PNN){1|P<3>}	P[3,3](P[3,3]P[3]2)(P[3]P[3,3]P)2	P(P[3]P[3,3]2)(NCC)2	96.1749	1.515	4	96.1749	2.295	4	96.1749	2.295	4	96.1749	2.295	4	96.1749	2.295	4	96.1749	2.295	4
852	852	987	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,3x5]	P[5,5]	3:3:2:	3:3:3:	3:3:	P[3,3x5]-3:P[3,3x5]-3:P[5,5]-2:	P[3,3x5]-3:P[4,3x5]-3:P[3,5,5]-3:	P[3,5,5]-3:P[4,3x5]-3:	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5])	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5])	P[5,5](P[3,5,5]P[3,3x5]2)(P[4,3x5]P[4,3x5]2)	P[3,5,5](P[3,3x5]P[3,3x5]P[4,3x5])2(P[5,5]P[4,3x5]){1|In<4>}	P[3,3x5](P[3,3x5]P[3,5,5]P[4,3x5])(P[4,3x5]P[4,3x5]In[4,5])(P[3,5,5]P[3,3x5]P[5,5]){2|C<3>}	P[5,5](P[3,5,5]P[3,3x5]2)(P[4,3x5]P[4,3x5]2){1|In<4>}	107.7990	0.250	2	107.7990	0.063	2	107.7990	0.063	2	107.7990	0.063	2	107.7990	0.063	2	105.5943	2.942	15
852	852	987	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,5,5]	P[5,5]	3:3:2:	3:3:2:	3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3x5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)	104.9363	1.500	11	104.9363	2.249	11	104.9363	2.249	11	104.9363	2.249	11	105.2551	2.492	13	105.5943	2.942	15
852	852	987	5:SP3_SP-NON_SP3	P[3,5,5]	P[3,5,5]	P[5,5]	3:3:2:	3:3:3:	3:3:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-2:	P[3,5,5]-3:P[3,5,5]-3:P[5,5]-3:	P[3,5,5]-3:P[3x5]-3:	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5])	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2)	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]){1|Zn<4>}	P[3,5,5](P[3,5,5]P[3,5,5]P[5,5])2(P[5,5]P[3x5]Zn)	P[5,5](P[3,5,5]P[3,5,5]2)(P[3x5]P[5,5]2){1|Zn<4>}	107.0085	0.383	2	107.0085	0.146	2	107.0085	0.146	2	107.0085	0.146	2	105.2551	2.492	13	105.5943	2.942	15
852	852	996	4:SP3_SP3_SP3	P[3,4,5]	P[3,4,4]	Si[4,5]	3:3:4:	3:3:3:	3:3:2:4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,5]-3:P[3,4,5]-3:P[4,4,5]-3:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[3,4,4](P[3,4,5]P[3,4,5]Si[4,5])2(P[4,4,5]Si[4,5]2){2|Si<4>,2|N<2>}	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	81.0683	0.402	2	81.0683	0.161	2	81.0683	0.161	2	81.0683	0.161	2	81.0683	0.161	2	81.0683	0.161	2
852	852	996	5:SP3_SP3_SP3	P[3,4,5]	P[3,4,5]	Si[4,5]	3:3:4:	3:3:4:	3:3:2:4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,4]-3:P[3,4,5]-3:Si[4,5]-4:	P[3,4,5]-3:P[4,4,5]-3:N-2:Si-4:	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN)	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3)	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	P[3,4,5](P[3,4,4]P[3,4,5]P[4,4,5])(P[3,4,5]P[3,4,4]Si[4,5])(Si[4,5]P[4,4,5]SiN){1|Si<4>,1|N<2>}	Si[4,5](P[3,4,5]P[3,4,4]P[3,4,5])(P[4,4,5]P[3,4,4]Si[4,5])(NC[5])(SiC3){1|Si<4>,1|N<2>}	108.5375	2.157	2	108.5375	4.654	2	108.5375	4.654	2	108.5375	4.654	2	108.5375	4.654	2	108.5375	4.654	2
852	869	979	0:SP3_SP2_SP2	P[3]	Si[3]	Si	3:4:3:	4:3:3:	3:3:3:	Si[3]-3:C[3]-4:Si-3:	C[3]-4:P[3]-3:C[5]-3:	P[3]-3:C[6a]-3:C[6a]-3:	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2)	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2)	Si(P[3]Si[3]C[3])(C[6a]C[6a]2)2	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2){2|N<3>}	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2){2|C<3>,2|C<4>}	Si(P[3]Si[3]C[3])(C[6a]C[6a]2)2	86.4468	0.000	1	86.4468	0.000	1	86.4468	0.000	1	86.4468	0.000	1	86.4468	0.000	1	86.4468	0.000	1
852	902	902	3:SP3_SP2_SP2	P[3]	C[3]	C[3]	3:3:2:	3:3:4:	3:3:4:	C[3]-3:C[3]-3:P-2:	C[3]-3:P[3]-3:C-4:	C[3]-3:P[3]-3:C-4:	P[3](C[3]C[3]C)2(PC[5])	C[3](C[3]P[3]C)(P[3]C[3]P)(CC3)	C[3](C[3]P[3]C)(P[3]C[3]P)(CC3)	P[3](C[3]C[3]C)2(PC[5])	C[3](C[3]P[3]C)(P[3]C[3]P)(CC3)	C[3](C[3]P[3]C)(P[3]C[3]P)(CC3)	41.2503	0.086	2	41.2503	0.007	2	41.2503	0.007	2	41.2503	0.007	2	41.2503	0.007	2	41.2503	0.007	2
852	902	940	0:SP3_SP-NON_SP2	P[3]	C[3]	P	3:3:2:	3:3:4:	3:3:	C[3]-3:C[3]-3:P-2:	C[3]-3:P[3]-3:C-4:	C[5]-3:P[3]-3:	P[3](C[3]C[3]C)2(PC[5])	C[3](C[3]P[3]C)(P[3]C[3]P)(CC3)	P(C[5]N[5]2)(P[3]C[3]2)	P[3](C[3]C[3]C)2(PC[5])	C[3](C[3]P[3]C)(P[3]C[3]P)(CC3)	P(C[5]N[5]2)(P[3]C[3]2)	99.4645	0.894	4	99.4645	0.800	4	99.4645	0.800	4	99.4645	0.800	4	99.4645	0.800	4	99.4645	0.800	4
853	466	853	0:SP2_SP2_SP3	C[3a]	C[6]	C[3a]	3:3:4:	4:3:4:1:	3:3:1:	C[3a]-3:C[3a]-3:C[6]-4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[3a]-3:C[3a]-3:H-1:	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	144.8790	0.000	1	144.8790	0.000	1	144.8790	0.000	1	149.3280	39.587	2	149.3280	39.587	2	149.3280	39.587	2
853	466	853	0:SP2_SP2_SP3	C[3a]	C[6]	C[3a]	3:3:4:	4:3:4:1:	3:3:1:	C[3a]-3:C[3a]-3:C[6]-4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	153.7770	0.000	1	153.7770	0.000	1	153.7770	0.000	1	149.3280	39.587	2	149.3280	39.587	2	149.3280	39.587	2
853	490	853	0:SP2_SP2_SP3	C[3a]	C	C[3a]	3:3:4:	3:1:1:1:	3:3:4:	Si[3a]-3:C[3a]-3:C-4:	C[3a]-3:H-1:H-1:H-1:	Si[3a]-3:C[3a]-3:C-4:	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C(C[3a]Si[3a]C[3a])(H)3	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C(C[3a]Si[3a]C[3a])(H)3	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	136.7940	0.236	2	136.7940	0.056	2	136.7940	0.056	2	136.7940	0.056	2	147.7902	16.763	35	147.7902	16.763	35
853	490	853	0:SP2_SP2_SP3	C[3a]	C	C[3a]	3:3:4:	3:4:1:1:	3:3:4:	Si[3a]-3:C[3a]-3:C-4:	C[3a]-3:C-4:H-1:H-1:	Si[3a]-3:C[3a]-3:C-4:	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	138.1500	0.525	2	138.1500	0.275	2	138.1500	0.275	2	138.1500	0.275	2	147.7902	16.763	35	147.7902	16.763	35
853	490	853	0:SP2_SP2_SP3	C[3a]	C	C[3a]	3:3:4:	3:4:4:4:	3:3:1:	C[3a]-3:C[3a]-3:C-4:	C[3a]-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C(C[3a]C[3a]2)(CCHH)(CH3)2	C[3a](C[3a]C[3a]C)2(O)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C(C[3a]C[3a]2)(CCHH)(CH3)2	C[3a](C[3a]C[3a]C)2(O)	150.1205	1.383	15	150.1205	1.913	15	150.1205	1.913	15	150.1205	1.913	15	147.7902	16.763	35	147.7902	16.763	35
853	490	853	0:SP2_SP2_SP3	C[3a]	C	C[3a]	3:3:4:	3:4:4:4:	3:3:4:	C[3a]-3:C[3a]-3:C-4:	C[3a]-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:C-4:	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C(C[3a]C[3a]2)(CCHH)(CH3)2	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C(C[3a]C[3a]2)(CCHH)(CH3)2	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	148.1851	1.442	16	148.1851	2.079	16	148.1851	2.079	16	148.1851	2.079	16	147.7902	16.763	35	147.7902	16.763	35
853	490	889	0:SP2_SP2_SP3	C[3a]	C	Si[3a]	3:3:4:	3:1:1:1:	3:3:4:	Si[3a]-3:C[3a]-3:C-4:	C[3a]-3:H-1:H-1:H-1:	C[3a]-3:C[3a]-3:Si-4:	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C(C[3a]Si[3a]C[3a])(H)3	Si[3a](C[3a]C[3a]C)2(SiC3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C(C[3a]Si[3a]C[3a])(H)3	Si[3a](C[3a]C[3a]C)2(SiC3)	153.7880	0.503	2	153.7880	0.253	2	153.7880	0.253	2	153.7880	0.253	2	153.1210	0.819	4	153.1210	0.819	4
853	490	889	0:SP2_SP2_SP3	C[3a]	C	Si[3a]	3:3:4:	3:4:1:1:	3:3:4:	Si[3a]-3:C[3a]-3:C-4:	C[3a]-3:C-4:H-1:H-1:	C[3a]-3:C[3a]-3:Si-4:	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	Si[3a](C[3a]C[3a]C)2(SiC3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C(C[3a]Si[3a]C[3a])(CH3)(H)2	Si[3a](C[3a]C[3a]C)2(SiC3)	152.4540	0.651	2	152.4540	0.423	2	152.4540	0.423	2	152.4540	0.423	2	153.1210	0.819	4	153.1210	0.819	4
853	617	643	0:SP2_SP2_SP2	C[3a]	B[3a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2){1|B<3>,3|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	161.5680	1.403	2	161.5680	1.968	2	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9
853	617	643	0:SP2_SP2_SP2	C[3a]	B[3a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])2(NSi2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	B[3a](C[3a]C[3a]C[6a])2(NSi2){4|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	160.0230	0.099	2	160.0230	0.010	2	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9
853	617	643	0:SP2_SP2_SP2	C[3a]	B[3a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a](C[3a]B[3a]Fe)(B[3a]C[3a]N)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Fe)(NSi2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](C[3a]B[3a]Fe)(B[3a]C[3a]N)(C[6a]C[6a]2){2|C<3>,2|H<1>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Fe)(NSi2){2|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|Fe<8>,1|C<3>,1|N<3>,2|H<1>}	154.2195	2.336	2	154.2195	5.455	2	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9
853	617	643	0:SP2_SP2_SP2	C[3a]	B[3a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a](C[3a]B[3a]Pt)(B[3a]C[3a]N)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Pt)(NSi2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](C[3a]B[3a]Pt)(B[3a]C[3a]N)(C[6a]C[6a]2){2|C<3>,2|H<1>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Pt)(NSi2){2|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|N<3>,2|H<1>}	160.5157	1.043	3	160.5157	1.088	3	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9	159.2409	9.621	9
853	617	770	0:SP2_SP2_SP2	C[3a]	B[3a]	B	3:3:3:	3:3:3:	3:3:3:	B[3a]-3:C[3a]-3:B-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:N-3:N-3:	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	B[3a](C[3a]C[3a]B)2(NSi2)	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	B[3a](C[3a]C[3a]B)2(NSi2)	B(C[3a]B[3a]C[3a])(NCC)2	161.7950	1.092	2	161.7950	1.192	2	161.7950	1.192	2	161.7950	1.192	2	161.7950	1.192	2	161.7950	1.192	2
853	617	853	0:SP2_SP2_SP2	C[3a]	B[3a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2)	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2){1|B<3>,3|C<3>}	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	157.0250	0.178	2	157.0250	0.032	2	157.0250	0.032	2	157.0250	0.032	2	157.0250	0.032	2	157.0250	0.032	2
853	617	853	3:SP2_SP2_SP2	C[3a]	B[3a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	B[3a]-3:C[3a]-3:B-3:	C[3a]-3:C[3a]-3:N-3:	B[3a]-3:C[3a]-3:B-3:	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	B[3a](C[3a]C[3a]B)2(NSi2)	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	B[3a](C[3a]C[3a]B)2(NSi2)	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	62.1097	0.127	2	62.1097	0.016	2	62.1097	0.016	2	62.5814	0.305	8	62.5814	0.305	8	62.5814	0.305	8
853	617	853	3:SP2_SP2_SP2	C[3a]	B[3a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])2(NSi2)	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	B[3a](C[3a]C[3a]C[6a])2(NSi2){4|C<3>}	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	62.8803	0.125	2	62.8803	0.016	2	62.8803	0.016	2	62.5814	0.305	8	62.5814	0.305	8	62.5814	0.305	8
853	617	853	3:SP2_SP2_SP2	C[3a]	B[3a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2)	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2){1|B<3>,3|C<3>}	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	63.2644	0.151	2	63.2644	0.023	2	63.2644	0.023	2	62.5814	0.305	8	62.5814	0.305	8	62.5814	0.305	8
853	617	853	3:SP2_SP2_SP2	C[3a]	B[3a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a]-3:C[3a]-3:N-3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2)	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2){1|B<3>,3|C<3>}	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	62.0712	0.049	2	62.0712	0.002	2	62.0712	0.002	2	62.5814	0.305	8	62.5814	0.305	8	62.5814	0.305	8
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	146.4550	0.000	1	146.4550	0.000	1	148.6249	1.406	7	148.6249	1.406	7	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>}	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	148.9865	0.767	6	148.9865	0.588	6	148.6249	1.406	7	148.6249	1.406	7	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[3a](C[3a]B[3a]C[6a])(B[3a]C[3a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	136.8610	0.366	2	136.8610	0.134	2	136.8610	0.134	2	145.2633	56.655	11	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	134.9005	1.491	2	134.9005	2.224	2	134.9005	2.224	2	145.2633	56.655	11	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	152.6530	0.000	1	152.6530	0.000	1	150.6247	1.167	7	145.2633	56.655	11	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	150.8260	0.000	1	150.2867	0.440	6	150.6247	1.167	7	145.2633	56.655	11	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[3a]C[3a]2)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	150.1788	0.681	5	150.2867	0.440	6	150.6247	1.167	7	145.2633	56.655	11	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:B-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN){2|C<3>,2|N<3>}	135.4660	0.000	1	135.4660	0.000	1	135.4660	0.000	1	138.9516	6.540	5	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	139.3470	0.000	1	139.3470	0.000	1	139.8230	3.658	4	138.9516	6.540	5	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	139.9260	0.000	1	139.9260	0.000	1	139.8230	3.658	4	138.9516	6.540	5	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	142.3190	0.000	1	142.3190	0.000	1	139.8230	3.658	4	138.9516	6.540	5	144.9143	39.847	23	144.9143	39.847	23
853	643	853	0:SP2_SP2_SP2	C[3a]	C[6a]	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	137.7000	0.000	1	137.7000	0.000	1	139.8230	3.658	4	138.9516	6.540	5	144.9143	39.847	23	144.9143	39.847	23
853	643	853	6:SP2_SP2_SP2	C[3,6a]	C[6a]	C[3,6a]	4:3:3:	3:3:1:	4:3:3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	C[3,6a]-3:C[6a]-3:H-1:	Si[3]-4:C[3,6a]-3:C[6a]-3:	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	C[6a](C[3,6a]C[3,6a]Si[3])(C[6a]C[6a]H)(H)	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[3,6a]C[3,6a]Si[3])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.4195	0.166	2	121.4195	0.028	2	121.4195	0.028	2	121.4195	0.028	2	121.9273	13.131	4	121.9273	13.131	4
853	643	853	6:SP2_SP2_SP2	C[3,6a]	C[6a]	C[3,6a]	8:3:3:	3:3:1:	8:3:3:	Nb[3,3,3x6]-8:C[3,6a]-3:C[6a]-3:	C[3,6a]-3:C[6a]-3:H-1:	Nb[3,3,3x6]-8:C[3,6a]-3:C[6a]-3:	C[3,6a](Nb[3,3,3x6]N[5,6,6]3C[3,6a]C[3]2C)(C[3,6a]Nb[3,3,3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[3,6a]Nb[3,3,3x6]C[3,6a])(C[6a]C[6a]H)(H)	C[3,6a](Nb[3,3,3x6]N[5,6,6]3C[3,6a]C[3]2C)(C[3,6a]Nb[3,3,3x6]C[6a])(C[6a]C[6a]H)	C[3,6a](Nb[3,3,3x6]N[5,6,6]3C[3,6a]C[3]2C)(C[3,6a]Nb[3,3,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[3,6a]Nb[3,3,3x6]C[3,6a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>,3|N<3>}	C[3,6a](Nb[3,3,3x6]N[5,6,6]3C[3,6a]C[3]2C)(C[3,6a]Nb[3,3,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|N<3>,4|C<3>}	122.4350	6.191	2	122.4350	38.334	2	122.4350	38.334	2	122.4350	38.334	2	121.9273	13.131	4	121.9273	13.131	4
853	643	872	0:SP2_SP2_SP3	C[3,6a]	C[6a]	Si[3]	4:3:3:	3:3:1:	3:3:3:3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	C[3,6a]-3:C[6a]-3:H-1:	C[3,6a]-3:C[3,6a]-3:C[6a]-3:C[6a]-3:	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	C[6a](C[3,6a]C[3,6a]Si[3])(C[6a]C[6a]H)(H)	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[3,6a]C[3,6a]Si[3])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,6|C<3>}	170.9265	0.091	2	170.9265	0.008	2	170.9265	0.008	2	170.9265	0.008	2	170.9265	0.008	2	170.9265	0.008	2
853	643	981	0:SP2_SP2_SP3	C[3a]	C[6a]	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<4>,4|C<3>}	156.4720	0.000	1	156.4720	0.000	1	156.4720	0.000	1	155.0116	2.992	5	155.0116	2.992	5	155.0116	2.992	5
853	643	981	0:SP2_SP2_SP3	C[3a]	C[6a]	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:C[5]-3:	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){4|C<4>,8|C<3>}	155.8930	0.000	1	155.8930	0.000	1	154.4035	4.437	2	155.0116	2.992	5	155.0116	2.992	5	155.0116	2.992	5
853	643	981	0:SP2_SP2_SP3	C[3a]	C[6a]	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:C[5]-3:	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){4|C<4>,8|C<3>}	152.9140	0.000	1	152.9140	0.000	1	154.4035	4.437	2	155.0116	2.992	5	155.0116	2.992	5	155.0116	2.992	5
853	643	981	0:SP2_SP2_SP3	C[3a]	C[6a]	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:N[6]-3:	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){2|C<4>,2|H<1>,8|C<3>}	153.3680	0.000	1	153.3680	0.000	1	154.8895	4.630	2	155.0116	2.992	5	155.0116	2.992	5	155.0116	2.992	5
853	643	981	0:SP2_SP2_SP3	C[3a]	C[6a]	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[6a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:N[6]-3:	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[3a]B[3a]C[3a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){2|C<4>,2|H<1>,8|C<3>}	156.4110	0.000	1	156.4110	0.000	1	154.8895	4.630	2	155.0116	2.992	5	155.0116	2.992	5	155.0116	2.992	5
853	727	851	5:SP2_SP2_SP3	C[3,5a]	C[5a,6a]	N[3,5a]	4:3:2:	3:3:3:	3:2:3:2:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	C[3,5a]-3:C[5a,6a]-3:C[6a]-3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1	105.0060	0.000	1
853	727	968	0:SP2_SP-NON_SP2	C[3,5a]	C[5a,6a]	H[3]	4:3:2:	3:3:3:	4:3:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	C[3,5a]-3:C[5a,6a]-3:C[6a]-3:	N[3,5a]-4:C[3,5a]-3:	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>}	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	148.8150	0.000	1	148.8150	0.000	1	148.8150	0.000	1	148.8150	0.000	1	148.8150	0.000	1	148.8150	0.000	1
853	770	853	0:SP2_SP2_SP2	C[3a]	B	C[3a]	3:3:3:	3:3:3:	3:3:3:	B[3a]-3:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	B[3a]-3:C[3a]-3:B-3:	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]N)(C[3a]B[3a]B)(BNN)	136.0020	1.137	2	136.0020	1.293	2	136.0020	1.293	2	136.0020	1.293	2	138.2523	20.269	6	138.2523	20.269	6
853	770	853	0:SP2_SP2_SP2	C[3a]	B	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	B[3a]-4:C[3a]-3:B-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN){2|N<3>}	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN){2|N<3>}	135.9870	0.321	2	135.9870	0.103	2	135.9870	0.103	2	139.7150	41.745	3	138.2523	20.269	6	138.2523	20.269	6
853	770	853	0:SP2_SP2_SP2	C[3a]	B	C[3a]	4:3:3:	3:3:3:	4:3:3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN){2|C<3>,2|N<3>}	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	147.1710	0.000	1	147.1710	0.000	1	147.1710	0.000	1	139.7150	41.745	3	138.2523	20.269	6	138.2523	20.269	6
853	770	853	0:SP2_SP2_SP2	C[3a]	B	C[3a]	4:3:3:	3:3:3:	4:3:4:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	B[3a]-4:C[3a]-3:Si-4:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN){2|N<3>}	B(C[3a]B[3a]C[3a])(NCC)2	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3){2|N<3>}	138.3650	0.000	1	138.3650	0.000	1	138.3650	0.000	1	138.3650	0.000	1	138.2523	20.269	6	138.2523	20.269	6
853	770	981	0:SP2_SP2_SP3	C[3a]	B	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN){2|N<3>}	B(C[3a]B[3a]C[3a])(NCC)2	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	158.9265	0.006	2	158.9265	0.000	2	156.2775	18.163	4	156.2775	18.163	4	156.2775	18.163	4	156.2775	18.163	4
853	770	981	0:SP2_SP2_SP3	C[3a]	B	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN){2|C<3>,2|N<3>}	B(C[3a]B[3a]C[3a])(NCC)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<4>,4|C<3>}	149.9940	0.000	1	149.9940	0.000	1	156.2775	18.163	4	156.2775	18.163	4	156.2775	18.163	4	156.2775	18.163	4
853	770	981	0:SP2_SP2_SP3	C[3a]	B	B[3a]	4:3:3:	3:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:N-3:N-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN)	B(C[3a]B[3a]C[3a])(NCC)2	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN){2|N<3>}	B(C[3a]B[3a]C[3a])(NCC)2	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	157.2630	0.000	1	157.2630	0.000	1	156.2775	18.163	4	156.2775	18.163	4	156.2775	18.163	4	156.2775	18.163	4
853	851	968	0:SP2_SP-NON_SP3	C[3,5a]	N[3,5a]	H[3]	4:3:2:	3:2:3:2:	4:3:	N[3,5a]-4:C[5a,6a]-3:H[3]-2:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[3,5a]-4:C[3,5a]-3:	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a])	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	C[3,5a](N[3,5a]C[6a]N[5a]H[3])(C[5a,6a]C[5a,6a]C[6a])(H[3]N[3,5a]){1|H<1>,4|C<3>}	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	H[3](N[3,5a]C[3,5a]C[6a]N[5a])(C[3,5a]C[5a,6a]N[3,5a])	43.8485	0.000	1	43.8485	0.000	1	43.8485	0.000	1	43.8485	0.000	1	43.8485	0.000	1	43.8485	0.000	1
853	853	853	0:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:3:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a]-3:B[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:B[3a]-3:	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2)	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N)	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	C[3a](C[3a]B[3a]C[3a])(B[3a]C[3a]N)(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[3a](C[3a]B[3a]C[3a])(C[3a]B[3a]C[6a])(B[3a]C[3a]N){1|N<3>,3|C<3>}	140.6845	0.131	2	140.6845	0.017	2	140.6845	0.017	2	140.6845	0.017	2	140.6845	0.017	2	140.6845	0.017	2
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:1:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	58.6912	0.000	1	58.5972	0.608	4	58.5972	0.608	4	58.5972	0.608	4	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:1:	3:3:3:	3:3:3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	58.5659	0.952	3	58.5972	0.608	4	58.5972	0.608	4	58.5972	0.608	4	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:1:	3:3:4:	3:3:1:	C[3a]-3:C[3a]-3:H-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	61.7925	0.000	1	61.7925	0.000	1	61.7925	0.000	1	59.6953	8.796	2	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:1:	3:3:4:	3:3:1:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[3a]-3:C[3a]-3:H-1:	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	57.5981	0.000	1	57.5981	0.000	1	57.5981	0.000	1	59.6953	8.796	2	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:1:	3:3:4:	3:3:4:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C-4:	C[3a]-3:C[3a]-3:C-4:	C[3a](C[3a]C[3a]C)2(O)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)2(O)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	57.2244	0.231	8	57.2244	0.053	8	57.2244	0.053	8	57.2244	0.053	8	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:3:	3:3:3:	3:3:1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	60.8385	0.000	1	60.6468	0.185	7	60.6468	0.185	7	60.6468	0.185	7	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:3:	3:3:3:	3:3:1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	60.4703	0.000	1	60.6468	0.185	7	60.6468	0.185	7	60.6468	0.185	7	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:3:	3:3:3:	3:3:1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	60.6437	0.511	5	60.6468	0.185	7	60.6468	0.185	7	60.6468	0.185	7	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:4:	3:3:1:	3:3:1:	C[3a]-3:C[3a]-3:C[6]-4:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:H-1:	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	60.6094	0.000	1	60.6094	0.000	1	60.6094	0.000	1	60.6094	0.000	1	59.9305	3.167	37	59.9305	3.167	37
853	853	853	3:SP2_SP2_SP2	C[3a]	C[3a]	C[3a]	3:3:4:	3:3:4:	3:3:1:	C[3a]-3:C[3a]-3:C-4:	C[3a]-3:C[3a]-3:C-4:	C[3a]-3:C[3a]-3:O-1:	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)2(O)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	C[3a](C[3a]C[3a]C)2(O)	61.3811	0.184	15	61.3811	0.034	15	61.3811	0.034	15	61.3811	0.034	15	59.9305	3.167	37	59.9305	3.167	37
853	853	863	0:SP2_SP2_SP2	C[3a]	C[3a]	O	3:3:1:	3:3:1:	3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:H-1:	C[3a]-3:	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	O(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	O(C[3a]C[3a]2)	150.1130	0.000	1	150.1130	0.000	1	150.1130	0.000	1	150.1130	0.000	1	151.1514	0.343	25	151.1514	0.343	25
853	853	863	0:SP2_SP2_SP2	C[3a]	C[3a]	O	3:3:1:	3:3:3:	3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	O(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	O(C[3a]C[3a]2)	150.9610	0.000	1	150.6344	0.182	7	150.6344	0.182	7	150.6344	0.182	7	151.1514	0.343	25	151.1514	0.343	25
853	853	863	0:SP2_SP2_SP2	C[3a]	C[3a]	O	3:3:1:	3:3:3:	3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C[6a]-3:	C[3a]-3:	C[3a](C[3a]C[3a]C[6a])2(O)	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2)	O(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C[6a])2(O){4|C<3>}	C[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	O(C[3a]C[3a]2)	150.5800	0.440	6	150.6344	0.182	7	150.6344	0.182	7	150.6344	0.182	7	151.1514	0.343	25	151.1514	0.343	25
853	853	863	0:SP2_SP2_SP2	C[3a]	C[3a]	O	3:3:1:	3:3:4:	3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C-4:	C[3a]-3:	C[3a](C[3a]C[3a]C)2(O)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	O(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C)2(O)	C[3a](C[3a]C[3a]C)(C[3a]C[3a]O)(CC3)	O(C[3a]C[3a]2)	151.3727	0.379	16	151.3727	0.144	16	151.3727	0.144	16	151.4253	0.182	17	151.1514	0.343	25	151.1514	0.343	25
853	853	863	0:SP2_SP2_SP2	C[3a]	C[3a]	O	3:3:1:	3:3:4:	3:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[3a]-3:	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	O(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	O(C[3a]C[3a]2)	152.2670	0.000	1	152.2670	0.000	1	152.2670	0.000	1	151.4253	0.182	17	151.1514	0.343	25	151.1514	0.343	25
853	853	872	3:SP2_SP2_SP3	C[3,6a]	C[3,6a]	Si[3]	4:3:3:	4:3:3:	3:3:3:3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	Si[3]-4:C[3,6a]-3:C[6a]-3:	C[3,6a]-3:C[3,6a]-3:C[6a]-3:C[6a]-3:	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H)	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3,6a](Si[3]C[3,6a]C[6a]2)(C[3,6a]C[6a]Si[3])(C[6a]C[6a]H){2|H<1>,5|C<3>}	Si[3](C[3,6a]C[3,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,6|C<3>}	67.6470	0.085	2	67.6470	0.007	2	67.6470	0.007	2	67.6470	0.007	2	67.6470	0.007	2	67.6470	0.007	2
853	853	880	0:SP2_SP2_SP3	C[3a]	C[3a]	Si	4:3:4:	4:3:3:	3:4:4:4:	B[3a]-4:C[3a]-3:Si-4:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:C-4:C-4:C-4:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN)	Si(C[3a]B[3a]C[3a])(CH3)3	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3){2|N<3>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN){2|N<3>}	Si(C[3a]B[3a]C[3a])(CH3)3	132.0230	0.000	1	132.0230	0.000	1	132.0230	0.000	1	132.0230	0.000	1	141.9666	39.307	5	141.9666	39.307	5
853	853	880	0:SP2_SP2_SP3	C[3a]	C[3a]	Si	4:3:4:	4:3:4:	3:4:4:4:	B[3a]-4:C[3a]-3:Si-4:	B[3a]-4:C[3a]-3:Si-4:	C[3a]-3:C-4:C-4:C-4:	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3)	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3)	Si(C[3a]B[3a]C[3a])(CH3)3	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3){4|N<3>}	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3){4|N<3>}	Si(C[3a]B[3a]C[3a])(CH3)3	144.4525	3.348	4	144.4525	11.212	4	144.4525	11.212	4	144.4525	11.212	4	141.9666	39.307	5	141.9666	39.307	5
853	853	889	3:SP2_SP2_SP2	C[3a]	C[3a]	Si[3a]	3:3:4:	3:3:4:	3:3:4:	Si[3a]-3:C[3a]-3:C-4:	Si[3a]-3:C[3a]-3:C-4:	C[3a]-3:C[3a]-3:Si-4:	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	Si[3a](C[3a]C[3a]C)2(SiC3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CCHH)	Si[3a](C[3a]C[3a]C)2(SiC3)	69.2656	0.259	2	69.2656	0.067	2	69.2781	0.075	4	69.2781	0.075	4	69.2781	0.075	4	69.2781	0.075	4
853	853	889	3:SP2_SP2_SP2	C[3a]	C[3a]	Si[3a]	3:3:4:	3:3:4:	3:3:4:	Si[3a]-3:C[3a]-3:C-4:	Si[3a]-3:C[3a]-3:C-4:	C[3a]-3:C[3a]-3:Si-4:	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	Si[3a](C[3a]C[3a]C)2(SiC3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	C[3a](Si[3a]C[3a]Si)(C[3a]Si[3a]C)(CH3)	Si[3a](C[3a]C[3a]C)2(SiC3)	69.2906	0.395	2	69.2906	0.156	2	69.2781	0.075	4	69.2781	0.075	4	69.2781	0.075	4	69.2781	0.075	4
853	853	951	0:SP2_SP-NON_SP2	C[3a]	C[3a]	H	3:3:1:	3:3:1:	3:	C[3a]-3:C[3a]-3:H-1:	C[3a]-3:C[3a]-3:O-1:	C[3a]-3:	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O)	H(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]H)(O){1|H<1>,2|C<4>}	H(C[3a]C[3a]2)	149.1320	0.000	1	149.1320	0.000	1	149.1320	0.000	1	149.1320	0.000	1	149.1040	0.002	2	149.1040	0.002	2
853	853	951	0:SP2_SP-NON_SP2	C[3a]	C[3a]	H	3:3:1:	3:3:4:	3:	C[3a]-3:C[3a]-3:H-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[3a]-3:	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H)	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	H(C[3a]C[3a]2)	C[3a](C[3a]C[3a]C[6])(C[3a]C[3a]O)(H){1|H<1>,2|C<4>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	H(C[3a]C[3a]2)	149.0760	0.000	1	149.0760	0.000	1	149.0760	0.000	1	149.0760	0.000	1	149.1040	0.002	2	149.1040	0.002	2
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:B-3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN)	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN){2|N<3>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(BNN){2|N<3>}	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	65.0531	0.347	2	65.0531	0.121	2	65.0531	0.121	2	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:B-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN){2|C<3>,2|N<3>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<4>,4|C<3>}	62.7514	0.000	1	62.7514	0.000	1	62.7514	0.000	1	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN)	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<3>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]C[6a])(BNN){2|C<3>,2|N<3>}	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<4>,4|C<3>}	68.0099	0.000	1	68.0099	0.000	1	68.0099	0.000	1	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:C[5]-3:	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){4|C<4>,8|C<3>}	64.6165	0.000	1	65.8034	2.818	2	65.8034	2.818	2	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:C[5]-3:	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2)	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[3a](B[3a]C[3a]C[6a]C[5])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(C[5]N[5]2){4|C<4>,8|C<3>}	66.9904	0.000	1	65.8034	2.818	2	65.8034	2.818	2	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:N[6]-3:	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){2|C<4>,2|H<1>,8|C<3>}	64.2521	0.000	1	65.0582	1.300	2	65.0582	1.300	2	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:C[6a]-3:	B[3a]-4:C[3a]-3:C[6a]-3:	C[3a]-3:C[3a]-3:C[6a]-3:N[6]-3:	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2)	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[3a](B[3a]C[3a]C[6a]N[6])(C[3a]B[3a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	B[3a](C[3a]C[3a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){2|C<4>,2|H<1>,8|C<3>}	65.8643	0.000	1	65.0582	1.300	2	65.0582	1.300	2	65.3239	2.688	8	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:3:	4:3:4:	3:3:3:3:	B[3a]-4:C[3a]-3:B-3:	B[3a]-4:C[3a]-3:Si-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3)	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN){2|N<3>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3){2|N<3>}	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	64.0806	0.000	1	64.0806	0.000	1	64.0806	0.000	1	64.0806	0.000	1	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:4:	4:3:3:	3:3:3:3:	B[3a]-4:C[3a]-3:Si-4:	B[3a]-4:C[3a]-3:B-3:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN)	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3){2|N<3>}	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]Si)(BNN){2|N<3>}	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	66.1807	0.000	1	66.1807	0.000	1	66.1807	0.000	1	66.1807	0.000	1	65.4077	1.665	14	65.4077	1.665	14
853	853	981	3:SP2_SP2_SP3	C[3a]	C[3a]	B[3a]	4:3:4:	4:3:4:	3:3:3:3:	B[3a]-4:C[3a]-3:Si-4:	B[3a]-4:C[3a]-3:Si-4:	C[3a]-3:C[3a]-3:C[5]-3:C[5]-3:	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3)	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3)	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3){4|N<3>}	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3){4|N<3>}	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2{4|C<3>,4|C<4>}	65.7138	0.104	4	65.7138	0.011	4	65.7138	0.011	4	65.7138	0.011	4	65.4077	1.665	14	65.4077	1.665	14
853	880	981	0:SP2_SP3_SP3	C[3a]	Si	B[3a]	4:3:4:	3:4:4:4:	3:3:3:3:	B[3a]-4:C[3a]-3:Si-4:	C[3a]-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:C[5]-3:C[5]-3:	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3)	Si(C[3a]B[3a]C[3a])(CH3)3	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2	C[3a](B[3a]C[3a]C[5]2)(C[3a]B[3a]Si)(SiC3){4|N<3>}	Si(C[3a]B[3a]C[3a])(CH3)3	B[3a](C[3a]C[3a]Si)2(C[5]N[5]2)2{4|C<3>,4|C<4>}	147.8263	3.098	4	147.8263	9.598	4	147.8263	9.598	4	150.1710	34.687	5	150.1710	34.687	5	150.1710	34.687	5
853	880	981	0:SP2_SP3_SP3	C[3a]	Si	B[3a]	4:3:4:	3:4:4:4:	3:3:3:3:	B[3a]-4:C[3a]-3:Si-4:	C[3a]-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3)	Si(C[3a]B[3a]C[3a])(CH3)3	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	C[3a](B[3a]C[3a]C[5]N)(C[3a]B[3a]B)(SiC3){2|N<3>}	Si(C[3a]B[3a]C[3a])(CH3)3	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	159.5500	0.000	1	159.5500	0.000	1	159.5500	0.000	1	150.1710	34.687	5	150.1710	34.687	5	150.1710	34.687	5
854	198	466	6:SP3_SP3_SPD5	N[6]	Ga[3,3,5,5,7x6]	C[6]	5:4:4:4:	6:6:6:4:4:	4:4:1:1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1
854	198	490	0:SP3_SP3_SPD5	N[6]	Ga[3,3,5,5,7x6]	C	5:4:4:4:	6:6:6:4:4:	4:3:1:1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	N[6]-4:C[6a]-3:H-1:H-1:	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	C(N[6]Ga[3,3,5,5,7x6]C[6]C)(C[6a]C[6a]2)(H)2	105.0855	6.172	2	105.0855	38.098	2	105.0855	38.098	2	105.0855	38.098	2	105.0855	38.098	2	105.0855	38.098	2
854	338	466	6:SP3_SP3_SPD5	N[6]	Ga[6,6]	C[6]	5:4:4:1:	3:2:2:4:3:	3:4:2:1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	C[6,6a]-3:N[6]-4:O-2:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	110.6547	7.332	3	110.6547	7.332	3
854	338	466	6:SP3_SP3_SPD5	N[6]	Ga[6,6]	C[6]	5:4:4:1:	3:2:2:4:4:	3:4:1:1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2{2|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	111.9760	2.046	2	111.9760	4.188	2	111.9760	4.188	2	111.9760	4.188	2	110.6547	7.332	3	110.6547	7.332	3
854	338	490	0:SP3_SP3_SPD5	N[6]	Ga[6,6]	C	5:4:4:1:	3:2:2:4:3:	4:4:1:1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	N[6]-4:C-4:H-1:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	113.3150	0.000	1	110.9057	7.210	3	110.9057	7.210	3
854	338	490	0:SP3_SP3_SPD5	N[6]	Ga[6,6]	C	5:4:4:1:	3:2:2:4:4:	4:4:1:1:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-4:	N[6]-4:C-4:H-1:H-1:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2{2|C<4>,4|H<1>,6|C<3>}	C(N[6]Ga[6,6]C[6]H)(CHHN)(H)2	109.7010	2.390	2	109.7010	5.712	2	109.7010	5.712	2	109.7010	5.712	2	110.9057	7.210	3	110.9057	7.210	3
854	338	951	0:SP3_SP-NON_SPD5	N[6]	Ga[6,6]	H	5:4:4:1:	3:2:2:4:3:	4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-3:	N[6]-4:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C)	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	H(N[6]Ga[6,6]C[6]C)	104.5390	0.000	1	104.5390	0.000	1	104.5390	0.000	1	104.5390	0.000	1	106.4783	29.996	3	106.4783	29.996	3
854	338	951	0:SP3_SP-NON_SPD5	N[6]	Ga[6,6]	H	5:4:4:1:	3:2:2:4:4:	4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	N[5]-3:O[6]-2:O[6]-2:N[6]-4:N[6]-4:	N[6]-4:	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2	H(N[6]Ga[6,6]C[6]C)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	Ga[6,6](N[5]C[5]N[5])(O[6]C[6,6a])2(N[6]C[6]CH)2{2|C<4>,4|H<1>,6|C<3>}	H(N[6]Ga[6,6]C[6]C)	107.4480	7.372	2	107.4480	54.351	2	107.4480	54.351	2	107.4480	54.351	2	106.4783	29.996	3	106.4783	29.996	3
854	442	466	0:SP3_SP3_SPD5	N[3x6]	B[4x3,4x5,4x6]	C[6,6]	5:4:4:4:	6:6:6:6:4:	4:4:1:1:	B[4x3,4x5,4x6]-5:C[6,6]-4:C[6,6]-4:C[6,6]-4:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:N[3x6]-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(N[3x6]C[6,6]3)	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3{10|H<1>,1|C<4>,4|B<6>}	B[4x3,4x5,4x6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4H)4(N[3x6]C[6,6]3){10|H<1>,1|B<5>,3|C<4>}	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	110.9203	0.864	3	110.9203	0.746	3	110.9203	0.746	3	110.9203	0.746	3	110.9203	0.746	3	110.9203	0.746	3
854	454	466	6:SP3_SP3_SPD5	N[6]	Ga[4,6]	C[6]	5:4:4:4:	3:4:3:1:1:	4:4:1:1:	Ga[4,6]-5:C[6]-4:C-4:C-4:	N[4,6]-3:N[6]-4:N[4]-3:Cl-1:Cl-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2	Ga[4,6](N[4,6]C[4]C[6])(N[6]C[6]CC)(N[4]C[4]Si)(Cl)2	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Ga[4,6](N[4,6]C[4]C[6])(N[6]C[6]CC)(N[4]C[4]Si)(Cl)2{1|C<3>,1|C<4>,4|H<1>}	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1
854	454	490	0:SP3_SP3_SPD5	N[6]	Ga[4,6]	C	5:4:4:4:	3:4:3:1:1:	4:1:1:1:	Ga[4,6]-5:C[6]-4:C-4:C-4:	N[4,6]-3:N[6]-4:N[4]-3:Cl-1:Cl-1:	N[6]-4:H-1:H-1:H-1:	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2	Ga[4,6](N[4,6]C[4]C[6])(N[6]C[6]CC)(N[4]C[4]Si)(Cl)2	C(N[6]Ga[4,6]C[6]C)(H)3	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	Ga[4,6](N[4,6]C[4]C[6])(N[6]C[6]CC)(N[4]C[4]Si)(Cl)2{1|C<3>,1|C<4>,4|H<1>}	C(N[6]Ga[4,6]C[6]C)(H)3	110.5970	0.952	2	110.5970	0.906	2	110.5970	0.906	2	110.5970	0.906	2	110.5970	0.906	2	110.5970	0.906	2
854	466	466	0:SP3_SP3_SP3	N[4x6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	N[4x6]-4:C[6]-4:H-1:H-1:	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	111.8720	0.000	1	111.8720	0.000	1	110.9485	1.706	2	110.9485	1.706	2	110.9485	1.706	2	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[4x6]	C[6,6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	N[4x6]-4:C[6]-4:H-1:H-1:	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.9485	1.706	2	110.9485	1.706	2	110.9485	1.706	2	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.3473	0.556	4	110.3473	0.309	4	110.3473	0.309	4	110.3473	0.309	4	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	N[6,6](B[6,6]C[6]2O)(C[6]C[6]HH)2(H){2|C<3>,6|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.8830	0.023	2	110.8830	0.001	2	110.8830	0.001	2	112.5140	3.686	4	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	114.1450	0.645	2	114.1450	0.416	2	114.1450	0.416	2	112.5140	3.686	4	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	111.2300	0.000	1	111.2300	0.000	1	111.2300	0.000	1	111.9297	5.477	3	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	N[6,6]-4:C[5,6]-4:H-1:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	110.0190	0.000	1	110.0190	0.000	1	110.0190	0.000	1	111.9297	5.477	3	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	111.9297	5.477	3	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	111.0960	0.156	2	111.0960	0.024	2	110.0706	0.875	9	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	109.5565	0.347	2	110.1410	1.085	3	110.0706	0.875	9	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	111.3100	0.000	1	110.1410	1.085	3	110.0706	0.875	9	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	109.5050	0.685	4	109.5050	0.469	4	110.0706	0.875	9	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	111.1380	0.000	1	111.1380	0.000	1	110.0395	1.688	4	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	110.9870	0.000	1	110.9870	0.000	1	110.0395	1.688	4	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.0165	0.931	2	109.0165	0.867	2	110.0395	1.688	4	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	108.7500	0.000	1	108.7500	0.000	1	108.7500	0.000	1	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.9280	0.000	1	110.9280	0.000	1	110.9280	0.000	1	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.6620	0.000	1	110.6620	0.000	1	111.7782	0.666	4	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	112.1503	0.410	3	112.1503	0.168	3	111.7782	0.666	4	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.0360	0.000	1	111.3936	1.547	10	111.3936	1.547	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.8882	1.300	6	111.3936	1.547	10	111.3936	1.547	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.5237	0.894	3	111.3936	1.547	10	111.3936	1.547	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.7775	0.011	2	110.7775	0.000	2	109.9792	0.331	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	109.8690	0.472	6	109.8690	0.223	6	109.9792	0.331	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	109.3160	0.000	1	109.3160	0.000	1	109.9792	0.331	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	109.7070	0.000	1	109.7070	0.000	1	109.9792	0.331	10	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.4655	0.463	2	108.4655	0.215	2	108.4655	0.215	2	110.4450	1.558	41	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	111.1800	0.000	1	111.2550	0.011	2	111.2550	0.011	2	111.2550	0.011	2	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	111.3300	0.000	1	111.2550	0.011	2	111.2550	0.011	2	111.2550	0.011	2	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.5950	0.000	1	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	3:4:1:1:	3:4:1:1:	B[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	109.4390	1.158	2	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:B[6,6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	109.4390	1.158	2	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	113.0040	0.000	1	113.0040	0.000	1	112.5415	0.428	2	112.5415	0.428	2	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	112.0790	0.000	1	112.0790	0.000	1	112.5415	0.428	2	112.5415	0.428	2	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.3880	0.000	1	110.3880	0.000	1	110.2620	0.408	6	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.8030	0.456	3	109.9963	0.288	4	110.2620	0.408	6	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.5760	0.000	1	109.9963	0.288	4	110.2620	0.408	6	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	111.1990	0.000	1	111.1990	0.000	1	110.2620	0.408	6	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	110.8695	0.484	2	110.8695	0.235	2	110.8695	0.235	2	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	110.1710	0.000	1	110.1710	0.000	1	110.3127	3.050	4	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	111.5930	0.031	2	111.5930	0.001	2	110.3127	3.050	4	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	107.8940	0.000	1	107.8940	0.000	1	110.3127	3.050	4	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	110.2430	3.749	11	110.2430	14.051	11	110.2430	14.051	11	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	110.2657	2.318	4	110.1162	4.677	12	110.1162	4.677	12	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	110.0414	2.242	8	110.1162	4.677	12	110.1162	4.677	12	110.1735	6.031	36	110.4631	3.650	97	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	111.4370	0.194	2	111.4370	0.038	2	111.4370	0.038	2	111.4370	0.038	2	111.4370	0.038	2	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:N[6]-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H){10|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	113.8065	0.882	2	113.8065	0.778	2	113.8065	0.778	2	113.8065	0.778	2	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:In[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<3>,2|C<3>,2|H<1>,4|C<4>}	113.9190	0.000	1	113.0335	1.568	2	113.4467	1.296	3	113.4467	1.296	3	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:In[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	112.1480	0.000	1	113.0335	1.568	2	113.4467	1.296	3	113.4467	1.296	3	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:In[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	114.2730	0.000	1	114.2730	0.000	1	113.4467	1.296	3	113.4467	1.296	3	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	114.5520	4.484	2	114.5520	20.110	2	113.0147	5.736	12	113.0147	5.736	12	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	114.4250	0.783	4	114.4250	0.613	4	113.0147	5.736	12	113.0147	5.736	12	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	112.4600	1.624	2	112.4600	2.636	2	113.0147	5.736	12	113.0147	5.736	12	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	110.2875	0.474	2	111.1130	3.583	4	113.0147	5.736	12	113.0147	5.736	12	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	111.9385	2.792	2	111.1130	3.583	4	113.0147	5.736	12	113.0147	5.736	12	113.2141	4.004	18	110.9037	4.540	119
854	466	466	0:SP3_SP3_SP3	N[6]	C[6]	C[6]	5:4:4:1:	4:4:4:1:	3:4:1:1:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	113.2141	4.004	18	110.9037	4.540	119
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	109.3120	0.000	1	110.1615	1.443	2	110.1615	1.443	2	110.1615	1.443	2	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	111.0110	0.000	1	110.1615	1.443	2	110.1615	1.443	2	110.1615	1.443	2	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	108.6550	0.000	1	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	3:4:3:1:	3:4:3:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	105.0380	0.000	1	105.0380	0.000	1	105.0380	0.000	1	105.0380	0.000	1	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	3:4:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	111.3765	1.189	2	111.3765	1.413	2	111.3765	1.413	2	111.3765	1.413	2	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(D)	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(D){3|C<4>}	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	108.6697	0.479	6	108.6697	0.229	6	108.6697	0.229	6	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	108.7250	0.000	1	108.0560	1.343	5	108.7150	0.290	78	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	109.1110	0.000	1	108.0560	1.343	5	108.7150	0.290	78	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	106.9095	0.926	2	108.0560	1.343	5	108.7150	0.290	78	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	108.6250	0.000	1	108.0560	1.343	5	108.7150	0.290	78	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H){3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	108.7601	0.450	73	108.7601	0.203	73	108.7150	0.290	78	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(O)	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(O){3|C<4>}	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	108.5683	0.255	21	108.5683	0.065	21	108.5683	0.065	21	108.6831	0.241	105	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	108.8062	0.119	6	108.8062	0.014	6	108.8062	0.014	6	110.7221	2.491	17	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pd<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	111.7200	0.233	2	111.7200	0.054	2	111.7882	0.633	10	110.7221	2.491	17	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Pt<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	111.0835	1.221	2	111.0835	1.491	2	111.7882	0.633	10	110.7221	2.491	17	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Re<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	112.2170	0.717	4	112.2170	0.514	4	111.7882	0.633	10	110.7221	2.491	17	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(H){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	111.7035	0.923	2	111.7035	0.852	2	111.7882	0.633	10	110.7221	2.491	17	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:P[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)(H){1|Rh<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	C[6,6](N[3x6]C[6,6]S[6,6]H)(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	111.5570	0.000	1	111.5570	0.000	1	111.5570	0.000	1	110.7221	2.491	17	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2{2|C<4>,5|H<1>}	110.0987	0.470	4	110.0987	0.221	4	110.1552	0.177	8	109.8581	0.261	14	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|F<1>,2|C<4>,4|H<1>}	110.2165	0.725	2	110.2165	0.525	2	110.1552	0.177	8	109.8581	0.261	14	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2{2|C<4>,5|H<1>}	110.2070	0.156	2	110.2070	0.024	2	110.1552	0.177	8	109.8581	0.261	14	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	109.4620	0.317	6	109.4620	0.100	6	109.4620	0.100	6	109.8581	0.261	14	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.5800	0.916	2	110.5800	0.840	2	110.5800	0.840	2	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(D)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	N[3x6](C[6,6]C[6,6]HH)3(D){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	109.3057	0.239	3	109.6969	0.695	15	109.6969	0.695	15	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(D)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	N[3x6](C[6,6]C[6,6]HH)3(D){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	109.7948	0.907	12	109.6969	0.695	15	109.6969	0.695	15	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(F)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	N[3x6](C[6,6]C[6,6]HH)3(F){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	111.4945	0.903	2	111.4945	0.815	2	111.4945	0.815	2	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	109.7220	0.000	1	109.7220	0.000	1	110.4728	0.687	13	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	111.2508	0.426	6	111.2508	0.181	6	110.4728	0.687	13	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|N<3>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	109.8198	0.343	6	109.8198	0.118	6	110.4728	0.687	13	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	110.5455	0.480	12	110.5455	0.230	12	110.5455	0.230	12	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.0189	0.685	42	109.0189	0.469	42	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.1360	0.615	2	109.1360	0.378	2	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	109.5425	0.078	2	109.5425	0.006	2	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.0675	0.391	2	110.0675	0.153	2	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	109.5980	0.325	2	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.1540	0.000	1	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.0408	0.583	6	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	110.1400	0.000	1	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	109.0054	1.624	45	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	109.9839	1.502	9	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.0232	1.027	33	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	109.8200	0.000	1	109.5451	2.004	98	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.3371	0.807	12	110.3371	0.651	12	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.1337	1.246	89	110.1337	1.553	89	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	110.5470	0.809	2	110.5470	0.654	2	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	110.3290	0.365	2	110.3290	0.133	2	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.9610	0.000	1	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	109.7670	0.898	210	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	109.8320	0.000	1	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	109.9103	1.323	3	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	109.7215	0.859	2	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	109.4764	0.249	5	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	109.8920	0.430	3	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	109.1323	0.763	3	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	109.8297	0.294	6	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	109.8052	1.048	885	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.9436	0.600	51	109.8019	0.999	1170	109.7872	1.109	1421	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2H)2(H)2	N[3x6](C[6,6]N[3x6]HH)3(H){1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	109.8812	0.358	6	109.8812	0.128	6	109.8812	0.128	6	109.8023	1.100	1471	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	111.5050	0.444	2	111.5050	0.197	2	111.5050	0.197	2	111.5050	0.197	2	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.3260	2.153	4	110.3260	4.634	4	110.3260	4.634	4	110.3260	4.634	4	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.9149	2.740	11	109.9149	7.509	11	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	111.6573	2.607	11	111.6573	6.794	11	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	108.1000	0.000	1	108.1000	0.000	1	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	113.6320	0.000	1	113.6320	0.000	1	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.5753	1.867	30	109.5753	3.487	30	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	112.0730	2.563	30	112.0730	6.569	30	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	109.1790	0.202	2	109.1790	0.041	2	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	111.0640	0.226	2	111.0640	0.051	2	110.7837	6.503	88	110.7837	6.503	88	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	110.7380	0.000	1	112.5420	6.509	2	112.9440	3.739	3	112.9440	3.739	3	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	114.3460	0.000	1	112.5420	6.509	2	112.9440	3.739	3	112.9440	3.739	3	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	113.7480	0.000	1	113.7480	0.000	1	112.9440	3.739	3	112.9440	3.739	3	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(OH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	110.0525	0.442	6	110.0288	0.137	9	110.0288	0.137	9	110.0288	0.137	9	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(OH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	109.9813	0.237	3	110.0288	0.137	9	110.0288	0.137	9	110.0288	0.137	9	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(BCHH)	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(BCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	107.1913	0.403	6	107.1913	0.162	6	107.1913	0.162	6	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	107.4190	0.000	2	107.2962	0.029	5	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	107.1280	0.000	1	107.2962	0.029	5	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	107.4230	0.000	1	107.2962	0.029	5	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	107.0920	0.000	1	107.2962	0.029	5	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	108.1425	0.197	2	107.6986	0.222	10	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	107.7620	0.000	1	107.6986	0.222	10	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	107.1530	0.000	1	107.6986	0.222	10	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	107.6310	0.497	6	107.6986	0.222	10	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	107.6317	0.362	3	107.6317	0.131	3	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CC[6a]HH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	107.3308	0.873	9	107.3308	0.763	9	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CHHO)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHO){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	107.9397	0.215	3	107.9397	0.046	3	107.5386	0.345	30	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:P[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	110.2000	0.195	2	110.2000	0.038	2	110.2000	0.038	2	107.6541	0.706	39	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6]-4:P[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|O<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	110.5130	0.225	2	110.5130	0.051	2	110.5130	0.051	2	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	110.2915	0.346	4	110.2915	0.120	4	110.2764	0.340	26	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	109.7155	0.931	2	109.6372	0.579	4	110.2764	0.340	26	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CCHH){1|Ru<8>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	109.5590	0.919	2	109.6372	0.579	4	110.2764	0.340	26	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Cu<4>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	110.4770	0.693	4	110.4770	0.481	4	110.2764	0.340	26	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	109.9790	0.395	2	110.3974	0.228	14	110.2764	0.340	26	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	P[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)(CH3){1|Ru<6>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	110.4671	0.468	12	110.3974	0.228	14	110.2764	0.340	26	110.2933	0.321	28	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-3:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.5825	0.101	2	108.5825	0.010	2	108.5825	0.010	2	108.0452	0.320	8	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	107.8725	0.687	4	107.8725	0.472	4	107.8662	0.292	6	108.0452	0.320	8	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	107.8535	0.213	2	107.8535	0.045	2	107.8662	0.292	6	108.0452	0.320	8	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	107.5080	0.320	2	107.4297	0.257	4	107.5600	0.278	5	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	107.3515	0.803	2	107.4297	0.257	4	107.5600	0.278	5	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]HH)3(BH3){1|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	108.0810	0.000	1	108.0810	0.000	1	107.5600	0.278	5	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B[3x6]-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3)	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3){12|H<1>,4|C<4>}	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	107.3130	0.189	3	107.3130	0.036	3	107.3130	0.036	3	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.7430	0.000	1	108.1687	0.692	3	108.3122	0.451	5	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	107.8815	0.943	2	108.1687	0.692	3	108.3122	0.451	5	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|H<1>,3|N<3>}	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	108.5275	0.517	2	108.5275	0.267	2	108.3122	0.451	5	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	C[4x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	108.2522	0.494	6	108.2522	0.244	6	108.2522	0.244	6	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	106.7700	0.946	4	106.7700	0.896	4	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.1360	0.625	3	108.1360	0.390	3	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.2697	0.358	3	108.2697	0.128	3	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.0290	0.000	1	108.0290	0.000	1	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CBrHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CBrHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	108.7997	0.122	3	108.7997	0.015	3	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	108.5387	0.707	84	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	108.3843	0.222	3	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	108.2505	1.003	6	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	108.8540	0.873	2	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	108.3592	1.114	6	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	108.8120	0.716	24	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.2722	0.608	42	108.4951	0.518	167	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	108.5633	0.504	30	108.4827	0.306	39	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.2141	0.651	9	108.4827	0.306	39	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	108.9725	0.728	17	108.8863	0.361	37	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	108.8131	0.475	20	108.8863	0.361	37	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	109.1175	0.047	2	109.1175	0.002	2	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	109.6642	0.612	4	109.6642	0.375	4	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	109.0563	0.804	3	108.8718	0.373	6	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	108.6873	0.429	3	108.8718	0.373	6	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	108.6950	0.089	2	108.6950	0.008	2	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	109.2152	0.461	4	109.2152	0.212	4	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	108.7701	0.641	19	108.6115	0.670	175	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	108.4277	0.497	6	108.6115	0.670	175	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	108.2418	0.511	6	108.6115	0.670	175	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	108.2808	0.638	36	108.6115	0.670	175	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	108.6220	0.735	4	108.6115	0.670	175	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.7286	0.903	104	108.6115	0.670	175	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.2472	0.710	12	108.2472	0.504	12	108.5701	0.582	462	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CH3)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CH3){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	107.7470	0.427	2	107.7470	0.182	2	108.1947	0.692	3	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]N[3x6]HH)3(CHHN)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]N[3x6]HH)3(CHHN){2|H<1>,3|C<4>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	109.0900	0.000	1	109.0900	0.000	1	108.1947	0.692	3	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H){1|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	108.5570	0.380	2	108.5570	0.145	2	108.4324	0.715	8	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	108.3908	0.982	6	108.3908	0.964	6	108.4324	0.715	8	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:In-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(InCl2In)	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(InCl2In){1|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	109.2277	3.794	9	109.2277	14.395	9	109.2277	14.395	9	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(OLi3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OLi3){1|N<3>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	109.3380	0.264	3	109.3380	0.070	3	109.3380	0.070	3	108.5582	0.818	504	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	108.1870	2.868	2	108.2928	5.112	4	108.4196	6.269	8	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	108.3985	2.658	2	108.2928	5.112	4	108.4196	6.269	8	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	108.3795	3.368	2	108.5465	9.473	4	108.4196	6.269	8	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	108.7135	4.119	2	108.5465	9.473	4	108.4196	6.269	8	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.2470	1.596	4	108.2470	2.548	4	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	110.3907	2.057	4	110.3907	4.230	4	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	111.7150	0.000	1	111.7150	0.000	1	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	105.1280	0.000	1	105.1280	0.000	1	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.3075	4.744	2	108.3075	22.505	2	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	107.9645	2.966	2	107.9645	8.799	2	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	107.9710	3.284	3	107.9710	10.785	3	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	110.0887	3.357	3	110.0887	11.271	3	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|N<4>,6|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	108.4120	2.216	2	108.4120	4.911	2	108.8610	6.816	22	108.7433	6.488	30	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	4:4:4:5:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-5:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](C[6,6]C[6,6]HH)3(GaH3W)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaH3W){1|C<3>,6|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	108.7987	0.629	3	108.7987	0.396	3	108.7987	0.396	3	108.7987	0.396	3	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[3x6]	C[6,6]	C[6,6]	5:4:4:4:	4:4:1:1:	4:4:1:1:	B[4x3,4x5,4x6]-5:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3{10|H<1>,1|C<4>,4|B<6>}	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	107.9833	0.145	3	107.9833	0.021	3	107.9833	0.021	3	107.9833	0.021	3	109.4805	1.718	2334	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	N[4x6]-4:C[6,6]-4:H-1:H-1:	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	110.7670	0.000	1	110.7670	0.000	1	108.7660	8.008	2	108.7660	8.008	2	108.7660	8.008	2	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6,6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	N[4x6]-4:C[6,6]-4:H-1:H-1:	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	106.7650	0.000	1	106.7650	0.000	1	108.7660	8.008	2	108.7660	8.008	2	108.7660	8.008	2	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[4x6]	C[3x6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	N[4x6]-4:C[6]-4:H-1:H-1:	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[4x6]	C[4x6]	C[4x6]	4:4:2:1:	4:3:4:4:	4:3:4:4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.7900	0.000	1	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[4x6]	C[6,6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	N[4x6]-4:C[6,6]-4:H-1:H-1:	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	107.6180	0.000	1	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.7290	0.061	2	110.7290	0.004	2	110.7290	0.004	2	110.7290	0.004	2	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	108.7940	0.000	1	109.3325	0.580	2	109.3325	0.580	2	109.3325	0.580	2	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:1:	4:4:3:4:	4:4:4:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:N[6,6]-4:C-4:H-1:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	109.8710	0.000	1	109.3325	0.580	2	109.3325	0.580	2	109.3325	0.580	2	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	109.5930	0.000	1	109.5930	0.000	1	109.5930	0.000	1	108.7390	1.459	2	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	108.7390	1.459	2	109.9654	1.494	8	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.2760	0.000	1	110.2760	0.000	1	112.1725	7.193	2	112.1725	7.193	2	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H)	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	114.0690	0.000	1	114.0690	0.000	1	112.1725	7.193	2	112.1725	7.193	2	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	112.0630	0.000	1	112.0630	0.000	1	111.8795	0.067	2	111.8795	0.067	2	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:1:	4:4:3:4:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:N[6,6]-4:N[6,6]-3:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H)	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3)	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2H)(N[6,6]C[6]2)(CH3){5|C<4>,9|H<1>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	111.6960	0.000	1	111.6960	0.000	1	111.8795	0.067	2	111.8795	0.067	2	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.1852	0.329	4	111.1852	0.108	4	111.1852	0.108	4	110.4995	1.260	6	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.1280	0.576	2	109.1280	0.331	2	109.1280	0.331	2	110.4995	1.260	6	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:2:	4:4:4:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.1545	0.295	2	110.1545	0.087	2	110.1545	0.087	2	110.1545	0.087	2	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.6270	0.000	1	109.6270	0.000	1	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.2443	0.646	3	109.3257	0.305	4	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.5700	0.000	1	109.3257	0.305	4	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	109.4667	0.389	3	109.2066	0.212	5	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	108.9540	0.000	1	109.2066	0.212	5	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.6790	0.000	1	109.2066	0.212	5	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	109.0460	0.000	1	109.0460	0.000	1	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[3x6]	C[6]	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	108.4270	0.000	1	108.4270	0.000	1	109.2030	0.239	12	109.2030	0.239	12	110.0769	1.818	24	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[4,6,6]HH)2(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	N[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	117.2000	0.000	1	117.2000	0.000	1	117.2000	0.000	1	117.2000	0.000	1	111.3527	27.657	3	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,8|H<1>}	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	111.3527	27.657	3	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	109.8480	0.000	1	111.3527	27.657	3	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.2960	0.511	4	112.2960	0.261	4	112.2960	0.261	4	112.2960	0.261	4	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.9755	0.381	2	110.9755	0.145	2	111.4260	1.220	16	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	110.3060	0.294	2	110.3060	0.087	2	111.4260	1.220	16	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	112.7170	0.386	6	112.7170	0.149	6	111.4260	1.220	16	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H)	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	110.6585	0.419	6	110.6585	0.176	6	111.4260	1.220	16	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	111.7770	0.000	1	111.7770	0.000	1	111.7770	0.000	1	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.4787	0.522	4	111.4787	0.273	4	111.4787	0.273	4	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	107.8155	0.685	2	107.8155	0.469	2	107.8155	0.469	2	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.2945	0.228	2	109.2945	0.052	2	109.2945	0.052	2	110.9731	1.967	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:3:1:1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-3:H-1:H-1:	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	115.4090	0.000	1	113.2750	0.889	10	113.2750	0.889	10	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	112.9253	0.617	6	113.2750	0.889	10	113.2750	0.889	10	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	112.9350	0.409	2	113.2750	0.889	10	113.2750	0.889	10	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	113.9190	0.000	1	113.2750	0.889	10	113.2750	0.889	10	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	110.5820	0.000	1	110.1345	0.401	2	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	109.6870	0.000	1	110.1345	0.401	2	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	112.2257	0.713	3	111.6242	0.586	13	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	112.1340	0.000	1	111.6242	0.586	13	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.6263	0.667	6	111.6242	0.586	13	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.8500	0.798	2	111.6242	0.586	13	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.8450	0.000	1	111.6242	0.586	13	111.4255	0.805	15	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[5,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	112.1161	2.252	28	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	110.1430	0.000	1	112.0845	7.539	2	112.0845	7.539	2	112.0537	3.772	3	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	114.0260	0.000	1	112.0845	7.539	2	112.0845	7.539	2	112.0537	3.772	3	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	111.9920	0.000	1	111.9920	0.000	1	111.9920	0.000	1	112.0537	3.772	3	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	110.2980	0.165	2	110.2980	0.027	2	110.2980	0.027	2	110.1552	0.042	4	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	110.0125	0.135	2	110.0125	0.018	2	110.0125	0.018	2	110.1552	0.042	4	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	3:4:4:2:	3:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	3:4:4:2:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:3:1:	4:3:1:1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.4695	0.059	2	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.4695	0.059	2	111.3772	2.445	73	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	3:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	107.3520	0.178	3	107.3520	0.032	3	107.3520	0.032	3	107.3520	0.032	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(H){4|C<4>}	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	107.6388	1.798	4	107.6388	3.234	4	107.6388	3.234	4	107.6388	3.234	4	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	113.8420	0.000	1	112.4700	3.765	2	112.4700	3.765	2	112.4310	1.887	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	111.0980	0.000	1	112.4700	3.765	2	112.4700	3.765	2	112.4310	1.887	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	112.3530	0.000	1	112.3530	0.000	1	112.3530	0.000	1	112.4310	1.887	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	113.3697	0.439	3	113.3697	0.192	3	113.3697	0.192	3	112.3345	1.443	6	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	110.8170	0.000	1	110.8170	0.000	1	111.2590	0.391	2	112.3345	1.443	6	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	111.7010	0.000	1	111.7010	0.000	1	111.2590	0.391	2	112.3345	1.443	6	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	N[6,6]-4:C[5,6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	111.3800	0.000	1	111.3800	0.000	1	111.3800	0.000	1	112.3345	1.443	6	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:Si-4:	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3)	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3){2|C<4>,8|H<1>}	113.3520	1.311	2	113.3520	1.719	2	113.3520	1.719	2	113.3520	1.719	2	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	106.4105	2.033	2	106.4105	4.133	2	106.4553	1.423	4	106.4553	1.423	4	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:N[6]-3:H-1:H-1:	N[6,6]-4:N[6,6]-3:H-1:H-1:	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2(CCHH){4|C<4>}	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	106.5000	0.358	2	106.5000	0.128	2	106.4553	1.423	4	106.4553	1.423	4	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	108.2785	0.617	2	108.2785	0.381	2	108.4370	0.734	6	108.4370	0.734	6	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	108.5162	1.035	4	108.5162	1.072	4	108.4370	0.734	6	108.4370	0.734	6	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	108.1173	0.557	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	108.8230	0.000	1	108.5080	0.198	2	108.5080	0.198	2	108.1173	0.557	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	108.1930	0.000	1	108.5080	0.198	2	108.5080	0.198	2	108.1173	0.557	3	109.4003	7.072	31	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	107.8380	0.126	2	107.8380	0.016	2	107.8380	0.016	2	107.8380	0.016	2	107.8463	0.595	15	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	107.8475	0.693	13	107.8463	0.595	15	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	107.0667	0.471	3	107.0667	0.222	3	107.0667	0.222	3	107.8475	0.693	13	107.8463	0.595	15	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	107.0610	0.000	1	108.1137	0.332	6	108.2509	0.365	9	107.8475	0.693	13	107.8463	0.595	15	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	108.3242	0.288	5	108.1137	0.332	6	108.2509	0.365	9	107.8475	0.693	13	107.8463	0.595	15	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6,6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	108.5253	0.678	3	108.5253	0.460	3	108.2509	0.365	9	107.8475	0.693	13	107.8463	0.595	15	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[3x6]	C[6]	4:4:1:1:	3:4:4:4:	4:4:1:1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	115.0370	0.000	1	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)2(H)2{5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	114.5675	0.004	2	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	114.6140	0.000	1	114.6140	0.000	1	114.6140	0.000	1	114.6140	0.000	1	114.5675	0.004	2	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:3:1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	113.5920	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:1:	4:3:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.1800	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:1:	4:4:4:1:	4:3:4:1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.4680	3.070	2	114.4680	9.426	2	114.4680	9.426	2	114.4680	9.426	2	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	115.6190	0.000	1	115.6190	0.000	1	115.6190	0.000	1	115.6190	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	111.5205	1.803	2	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.4700	0.000	1	112.4700	0.000	1	112.4700	0.000	1	111.5205	1.803	2	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.1000	0.000	1	111.1000	0.000	1	112.7370	0.476	16	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.9688	0.714	4	112.9688	0.510	4	112.7370	0.476	16	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	113.6020	0.000	1	113.3690	0.041	3	112.7370	0.476	16	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	113.2525	0.001	2	113.3690	0.041	3	112.7370	0.476	16	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.5888	0.423	8	112.5888	0.179	8	112.7370	0.476	16	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	115.8720	0.000	1	115.8720	0.000	1	113.7215	9.249	2	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.5710	0.000	1	111.5710	0.000	1	113.7215	9.249	2	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.7610	0.061	2	111.7610	0.004	2	111.7610	0.004	2	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	110.9550	0.000	1	110.9550	0.000	1	110.6900	0.102	4	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	110.6017	0.325	3	110.6017	0.106	3	110.6900	0.102	4	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.4850	0.000	1	111.4850	0.000	1	111.4850	0.000	1	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	111.3140	0.000	1	111.3140	0.000	1	111.4373	0.074	3	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.2480	0.000	1	111.2480	0.000	1	111.4373	0.074	3	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.7500	0.000	1	111.7500	0.000	1	111.4373	0.074	3	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	112.2182	1.402	29	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	111.6180	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:3:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6,6]	C[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.0585	0.858	2	112.0585	0.736	2	112.0585	0.736	2	112.0585	0.736	2	112.4485	1.938	42	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:3:4:1:	4:4:4:1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	112.7230	1.614	2	112.7230	2.604	2	112.7230	2.604	2	112.7230	2.604	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	110.3035	0.009	2	110.3035	0.000	2	109.6517	0.889	12	109.4842	1.180	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	108.8940	0.199	3	109.3536	0.778	9	109.6517	0.889	12	109.4842	1.180	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.1420	0.000	1	109.3536	0.778	9	109.6517	0.889	12	109.4842	1.180	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	109.4716	1.098	5	109.3536	0.778	9	109.6517	0.889	12	109.4842	1.180	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	111.0320	0.000	1	111.0320	0.000	1	109.6517	0.889	12	109.4842	1.180	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	109.4842	1.180	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	3:4:4:1:	4:4:4:4:	4:4:4:4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:C-4:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	117.7931	0.912	10	117.7931	0.831	10	117.7931	0.831	10	117.7931	0.831	10	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	113.0580	0.000	1	113.0580	0.000	1	112.7673	0.751	3	112.7673	0.751	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:3:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	N[6]-4:C[6]-4:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	112.6220	1.172	2	112.6220	1.374	2	112.7673	0.751	3	112.7673	0.751	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:3:4:1:	3:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	N[6]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	114.5080	0.000	1	113.6195	1.579	2	113.6195	1.579	2	112.4325	2.530	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	112.7310	0.000	1	113.6195	1.579	2	113.6195	1.579	2	112.4325	2.530	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	111.2455	0.612	2	111.2455	0.374	2	111.2455	0.374	2	112.4325	2.530	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:1:1:	3:4:4:4:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-3:N[6]-4:C-4:C-4:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	116.4520	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	113.9230	0.000	1	113.6700	0.128	2	113.6786	0.252	5	113.2464	0.820	7	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	113.4170	0.000	1	113.6700	0.128	2	113.6786	0.252	5	113.2464	0.820	7	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	113.6843	0.663	3	113.6843	0.439	3	113.6786	0.252	5	113.2464	0.820	7	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	112.1660	0.803	2	112.1660	0.645	2	112.1660	0.645	2	113.2464	0.820	7	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	112.5630	0.000	2	112.5630	0.000	2	112.5630	0.000	2	112.5630	0.000	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.2600	0.000	1	112.2600	0.000	1	111.3660	1.598	2	111.3660	1.598	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	3:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	110.4720	0.000	1	110.4720	0.000	1	111.3660	1.598	2	111.3660	1.598	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CC[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.8955	0.238	2	111.8955	0.057	2	112.9278	1.591	4	112.3907	1.693	6	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	113.9600	0.673	2	113.9600	0.453	2	112.9278	1.591	4	112.3907	1.693	6	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.6580	0.000	1	111.6580	0.000	1	111.3165	0.233	2	112.3907	1.693	6	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.9750	0.000	1	110.9750	0.000	1	111.3165	0.233	2	112.3907	1.693	6	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	113.8770	0.403	2	113.8770	0.162	2	113.8770	0.162	2	113.4107	0.734	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	112.4780	0.000	1	112.4780	0.000	1	112.4780	0.000	1	113.4107	0.734	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.9010	0.000	1	115.9010	0.000	1	115.9010	0.000	1	115.7327	1.511	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	3:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	115.6485	1.726	2	115.6485	2.979	2	115.6485	2.979	2	115.7327	1.511	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(H)2{3|C<3>}	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	112.6100	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	112.3137	0.391	3	112.3137	0.153	3	112.3137	0.153	3	112.3137	0.153	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.3170	0.508	2	112.3170	0.258	2	112.3170	0.258	2	112.3170	0.258	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	112.6660	0.000	1	112.6660	0.000	1	112.3760	0.168	2	112.3760	0.168	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,4|H<1>}	112.0860	0.000	1	112.0860	0.000	1	112.3760	0.168	2	112.3760	0.168	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]HH)(H)2{3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	113.2510	0.328	2	113.2510	0.108	2	113.2510	0.108	2	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	112.6785	2.829	2	112.6785	8.004	2	113.6234	1.287	19	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	113.7345	0.907	17	113.7345	0.823	17	113.6234	1.287	19	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	112.8927	0.535	6	113.0470	1.795	27	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.8203	1.090	9	113.0470	1.795	27	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	111.5925	0.385	2	113.0470	1.795	27	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	113.6344	1.742	10	113.0470	1.795	27	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	118.1357	7.679	6	118.1357	58.969	6	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	112.8400	0.000	1	112.8400	0.000	1	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.9900	0.000	1	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.1854	0.449	5	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	112.1636	0.597	32	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	114.4500	0.000	1	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	112.2342	0.889	6	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	113.1563	0.341	3	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	112.4699	0.605	55	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	112.5620	1.876	52	112.4422	1.460	155	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	113.4813	1.285	3	113.4813	1.652	3	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	112.3240	0.000	1	112.3240	0.000	1	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.2160	0.000	1	113.2160	0.000	1	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	111.7453	0.645	6	111.7453	0.415	6	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	111.1930	0.000	1	111.7567	2.231	38	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	111.7734	1.533	36	111.7567	2.231	38	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	111.7190	0.000	1	111.7567	2.231	38	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	110.2060	0.000	1	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.1193	0.970	138	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	110.9410	0.185	2	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	111.5087	0.575	18	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	110.9854	0.560	23	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.6423	0.519	8	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	111.3499	0.861	432	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	111.4150	0.000	1	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	111.2715	0.689	2	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	111.8460	0.000	1	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	112.5915	0.479	2	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	110.2720	0.000	1	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	111.3199	1.101	8	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	111.8380	0.000	1	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.6588	1.615	45	111.3191	0.892	683	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	110.8928	1.034	125	110.9167	1.106	128	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	110.9790	0.000	1	110.9167	1.106	128	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|O<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	112.3745	1.894	2	110.9167	1.106	128	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	114.5186	0.405	7	114.5186	0.164	7	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	115.5890	0.000	1	115.5890	0.000	1	111.5716	1.924	1057	111.6127	1.988	1079	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	112.0780	0.690	2	112.0780	0.476	2	112.8820	2.177	3	112.8820	2.177	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	114.4900	0.000	1	114.4900	0.000	1	112.8820	2.177	3	112.8820	2.177	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:P-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	112.5830	0.000	1	112.5830	0.000	1	112.4796	1.083	7	112.4796	1.083	7	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:P-4:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	112.4623	1.139	6	112.4623	1.297	6	112.4796	1.083	7	112.4796	1.083	7	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]HH)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	116.1540	1.834	2	116.1540	3.364	2	116.1540	3.364	2	116.1540	3.364	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2{1|S<2>,4|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	115.2030	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.7245	1.221	2	113.7245	1.491	2	113.7245	1.491	2	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	112.9140	0.209	2	112.9140	0.044	2	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.0010	0.000	1	113.0010	0.000	1	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	114.1000	0.000	1	114.1000	0.000	1	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.3867	0.243	3	113.3867	0.059	3	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.9344	0.420	7	113.9344	0.176	7	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.7187	0.508	3	113.7187	0.258	3	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	113.1775	0.016	2	113.1775	0.000	2	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	112.6935	0.623	2	112.6935	0.388	2	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	114.2240	0.000	1	114.2240	0.000	1	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	113.5100	0.000	1	113.5100	0.000	1	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	114.2930	0.000	1	114.2930	0.000	1	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	112.2061	0.743	14	112.2061	0.552	14	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.3425	0.505	4	112.4116	8.664	44	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	112.4600	0.000	1	112.4116	8.664	44	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	113.5240	0.000	1	112.4116	8.664	44	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	112.3790	3.252	36	112.4116	8.664	44	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	112.9880	0.000	1	112.4116	8.664	44	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	112.1220	0.000	1	112.4116	8.664	44	112.7140	5.089	82	112.7381	5.009	84	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	115.1790	0.000	1	115.1790	0.000	1	115.5685	0.303	2	115.5685	0.303	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.5685	0.303	2	115.5685	0.303	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	115.5583	0.200	4	115.5583	0.040	4	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	112.7430	1.232	2	112.7430	1.517	2	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	113.8390	0.000	1	113.8390	0.000	1	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	113.6880	0.000	1	113.6880	0.000	1	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	113.2478	0.335	5	112.9778	0.483	12	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	113.0187	0.623	6	112.9778	0.483	12	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	111.3820	0.000	1	112.9778	0.483	12	113.5489	1.496	20	113.5489	1.496	20	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:3:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{4|C<4>}	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	112.6000	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	115.5137	1.687	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	116.2100	0.000	1	116.2100	0.000	1	115.1125	2.409	2	115.5137	1.687	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:1:1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	114.0150	0.000	1	114.0150	0.000	1	115.1125	2.409	2	115.5137	1.687	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	120.4768	0.290	5	120.5169	0.276	30	120.5169	0.276	30	120.5169	0.276	30	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	119.4785	0.118	2	120.5169	0.276	30	120.5169	0.276	30	120.5169	0.276	30	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	120.5637	0.090	3	120.5169	0.276	30	120.5169	0.276	30	120.5169	0.276	30	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	120.2982	0.568	4	120.5169	0.276	30	120.5169	0.276	30	120.5169	0.276	30	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	120.7052	0.500	16	120.5169	0.276	30	120.5169	0.276	30	120.5169	0.276	30	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OAl)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OAl)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	119.3280	0.000	1	119.3280	0.000	1	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	118.6860	0.577	3	118.6860	0.332	3	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	118.0040	0.000	1	118.0040	0.000	1	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OFe)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	119.9337	0.265	3	119.9337	0.070	3	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	120.2810	0.000	1	120.2810	0.000	1	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OIr)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OIr)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	117.0230	0.000	1	117.0230	0.000	1	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(ONi)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(ONi)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	118.3930	0.292	6	118.3930	0.085	6	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:2:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(OP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	N[6](C[6]C[6]CC)2(OP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	116.9520	0.000	1	116.9520	0.000	1	118.6944	0.976	17	118.6944	0.976	17	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	111.2390	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(CCC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	N[6](C[6]C[6]CC)2(CCC)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	117.3047	1.021	4	117.3047	1.043	4	117.3047	1.043	4	117.3047	1.043	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-3:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:3:4:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	113.4750	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4128	1.303	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	112.1590	0.000	1	112.1590	0.000	1	111.1555	2.014	2	110.4128	1.303	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	110.1520	0.000	1	110.1520	0.000	1	111.1555	2.014	2	110.4128	1.303	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	108.9660	0.000	1	108.9660	0.000	1	109.6750	1.005	2	110.4128	1.303	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	110.3840	0.000	1	110.3840	0.000	1	109.6750	1.005	2	110.4128	1.303	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	113.5160	0.000	1	113.5160	0.000	1	113.5160	0.000	1	113.5160	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){3|C<3>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	110.2630	0.000	1	110.2630	0.000	1	110.2130	0.011	3	110.1698	0.015	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){3|C<3>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	110.1880	0.134	2	110.1880	0.018	2	110.2130	0.011	3	110.1698	0.015	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	N[6]-4:N[6]-3:H-1:H-1:	N[6]-4:N[6]-3:H-1:H-1:	N[6](C[6]N[6]HH)2(CH3)(H)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)(H){3|C<4>}	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.1698	0.015	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:S-4:H-1:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|F<1>,7|H<1>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	110.6340	0.000	1	110.6340	0.000	1	109.9930	0.822	2	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.3520	0.000	1	109.3520	0.000	1	109.9930	0.822	2	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[3]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	108.8440	0.119	2	108.8440	0.014	2	108.8440	0.014	2	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	110.0710	0.000	1	110.0710	0.000	1	110.1128	0.360	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	109.0600	0.000	1	109.0600	0.000	1	110.1128	0.360	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.2743	0.346	3	110.3865	0.130	4	110.1128	0.360	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	110.7230	0.000	1	110.3865	0.130	4	110.1128	0.360	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	108.8100	0.073	4	108.8100	0.005	4	109.3453	0.694	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(BH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	110.4160	0.115	2	110.4160	0.013	2	109.3453	0.694	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5,6]HH)2(CH3)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[5,6]HH)2(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	112.3470	0.000	1	112.3470	0.000	1	111.5990	1.119	2	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	110.8510	0.000	1	110.8510	0.000	1	111.5990	1.119	2	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	111.5020	0.000	1	111.5020	0.000	1	111.5020	0.000	1	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CBHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.9660	0.000	1	110.9660	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	108.8380	0.000	1	108.8380	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.2870	0.000	1	110.2870	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.5080	0.000	1	110.5080	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	111.3540	0.000	1	111.3540	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.5477	0.719	23	110.5249	0.512	57	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.8680	0.512	4	110.5249	0.512	57	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.8958	0.234	5	110.5249	0.512	57	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.5748	0.757	25	110.5249	0.512	57	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	109.7110	0.000	1	109.7110	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	109.9160	0.000	1	109.9160	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.1210	0.000	1	110.1210	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.8473	0.985	40	109.6498	4.631	102	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	109.4859	0.490	15	109.6498	4.631	102	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	109.1170	0.000	1	109.6498	4.631	102	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.3041	5.269	15	109.6498	4.631	102	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	110.1800	0.000	1	109.6498	4.631	102	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	109.1415	0.855	30	109.6498	4.631	102	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	109.3649	0.849	29	109.3649	0.722	29	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	111.2460	0.000	1	111.2460	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	109.4220	0.000	1	109.4220	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	110.1090	0.731	2	110.1090	0.535	2	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	108.7026	1.669	7	108.7026	2.785	7	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	108.7865	0.934	4	108.7865	0.873	4	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.6538	0.605	5	110.6538	0.366	5	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.2390	0.000	1	111.2390	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.3170	0.000	1	109.1307	1.579	6	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	109.0934	1.401	5	109.1307	1.579	6	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.1910	0.641	2	110.1910	0.410	2	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.0300	0.000	1	110.0300	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	110.2540	0.000	1	110.2540	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	111.1400	0.000	1	111.1400	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.1710	0.000	1	111.1710	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	111.2661	0.811	15	111.2330	0.605	18	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	111.0673	0.700	3	111.2330	0.605	18	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1380	0.000	1	109.8506	0.890	10	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	109.4450	0.000	1	109.8506	0.890	10	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	110.4770	1.159	4	109.8506	0.890	10	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	109.1460	0.000	1	109.8506	0.890	10	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	109.2897	0.601	3	109.8506	0.890	10	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	109.5672	0.616	18	109.5672	0.379	18	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.0740	0.129	2	111.0223	0.016	3	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.9190	0.000	1	111.0223	0.016	3	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1325	0.158	2	111.4994	2.799	20	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	110.6690	0.375	3	111.4994	2.799	20	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	112.0594	2.158	10	111.4994	2.799	20	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	111.4242	0.706	5	111.4994	2.799	20	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1160	0.871	6	110.1160	0.759	6	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	109.8050	0.000	1	109.8050	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.1929	0.717	36	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	109.6380	0.395	2	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	110.3730	0.000	1	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	110.2016	0.568	9	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.1039	1.599	28	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	109.6230	0.000	1	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	109.8322	0.648	34	110.0472	0.972	111	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	109.9914	0.722	7	109.9914	0.522	7	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	110.1040	0.052	2	110.1040	0.003	2	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	109.3450	0.557	4	109.3450	0.310	4	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	109.1280	0.000	1	109.1280	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CHPP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHPP)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.7500	0.000	1	110.7500	0.000	1	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	110.6927	0.223	3	110.6927	0.050	3	110.0412	2.072	434	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	108.8630	0.000	1	109.0265	0.053	2	108.4912	0.503	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	109.1900	0.000	1	109.0265	0.053	2	108.4912	0.503	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.2730	0.000	1	108.4255	1.437	2	108.4912	0.503	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.5780	0.000	1	108.4255	1.437	2	108.4912	0.503	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(O)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CH3)(O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	108.0215	0.016	2	108.0215	0.000	2	108.4912	0.503	6	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	109.9395	0.429	2	109.9175	0.163	4	110.0181	0.450	7	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	110.2840	0.000	1	109.9175	0.163	4	110.0181	0.450	7	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	109.5070	0.000	1	109.9175	0.163	4	110.0181	0.450	7	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	109.7640	0.000	1	110.5415	1.209	2	110.0181	0.450	7	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	111.3190	0.000	1	110.5415	1.209	2	110.0181	0.450	7	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	109.3740	0.000	1	109.3740	0.000	1	110.0181	0.450	7	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:Ga-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(GaCl3)(H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	110.0185	2.020	469	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	110.7765	0.359	2	110.7765	0.129	2	110.7765	0.129	2	110.6103	0.147	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.6103	0.147	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	110.7620	0.000	1	110.7620	0.000	1	110.7620	0.000	1	110.7620	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[5,6]-4:N[6]-4:C[6]-3:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.4890	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	114.0770	0.000	1	114.0770	0.000	1	115.4240	3.629	2	115.4240	3.629	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	116.7710	0.000	1	116.7710	0.000	1	115.4240	3.629	2	115.4240	3.629	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-3:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:C[6]-3:C-4:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){1|H<1>,3|C<4>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[3,6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	110.8990	0.000	1	110.8990	0.000	1	110.8990	0.000	1	111.8960	2.799	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	110.4100	0.000	1	110.4100	0.000	1	112.0237	4.889	3	111.8960	2.799	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	114.5440	0.000	1	114.5440	0.000	1	112.0237	4.889	3	111.8960	2.799	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	111.1170	0.000	1	111.1170	0.000	1	112.0237	4.889	3	111.8960	2.799	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:P[6]-4:H-1:H-1:	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	111.8960	2.799	5	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:2:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-2:H-1:	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	113.5860	3.443	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]CH)(CH3)(H){1|H<1>,3|C<4>}	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	113.5860	3.443	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:4:	4:3:4:1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	N[6]-4:C[6]-3:C-4:H-1:	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]CH)(C[6]C[6]C)(CCHH)(H){4|C<4>}	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	117.1075	0.706	6	117.1075	0.498	6	117.5227	0.640	13	117.5227	0.640	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	116.5260	0.000	1	116.5260	0.000	1	117.5227	0.640	13	117.5227	0.640	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	N[6](C[6]C[6]CC)2(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	118.4850	0.231	3	118.4850	0.053	3	117.5227	0.640	13	117.5227	0.640	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(CSi[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	N[6](C[6]C[6]CC)2(CSi[5]HH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	117.7230	0.282	3	117.7230	0.080	3	117.5227	0.640	13	117.5227	0.640	13	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(NS)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	106.8955	0.172	2	106.8955	0.030	2	107.2190	0.329	3	107.5765	0.730	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:N-2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	N[6](C[6]C[6]HH)2(CH3)(NC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.8660	0.000	1	107.8660	0.000	1	107.2190	0.329	3	107.5765	0.730	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)(OP)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	107.5765	0.730	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	107.1830	0.095	2	107.1830	0.009	2	107.3667	0.186	4	107.3667	0.186	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:2:	4:4:1:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	107.5505	0.644	2	107.5505	0.415	2	107.3667	0.186	4	107.3667	0.186	4	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	3:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	109.8470	0.115	2	109.8470	0.013	2	109.8470	0.013	2	109.8470	0.013	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-3:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	108.8755	0.822	2	108.8755	0.676	2	108.8755	0.676	2	108.8755	0.676	2	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	110.7100	0.000	1	110.7100	0.000	1	108.1443	5.617	3	108.1443	5.617	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2{1|C<4>,2|H<1>}	106.0370	0.000	1	106.0370	0.000	1	108.1443	5.617	3	108.1443	5.617	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-3:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	107.6860	0.000	1	107.6860	0.000	1	108.1443	5.617	3	108.1443	5.617	3	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	111.7785	0.795	2	111.7785	0.633	2	111.7785	0.633	2	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	109.6680	0.000	1	109.6680	0.000	1	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCCH)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCCH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	105.2695	0.691	2	105.2695	0.477	2	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	109.0963	0.579	12	109.0963	0.335	12	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	107.7296	0.534	9	107.7296	0.286	9	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	109.0207	0.884	3	109.0207	0.781	3	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	107.6550	1.348	2	107.6550	1.816	2	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	107.0070	0.580	3	107.0070	0.336	3	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	109.7574	0.461	5	109.7574	0.213	5	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	108.5480	0.000	1	108.5480	0.000	1	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CC[6a]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	108.4535	0.349	2	108.4535	0.122	2	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	109.8213	0.364	3	109.8213	0.132	3	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	107.8390	0.328	2	107.8390	0.108	2	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.3270	0.963	2	108.0774	0.650	27	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	108.3675	0.654	4	108.0774	0.650	27	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	109.0820	0.423	3	108.0774	0.650	27	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	107.9289	0.746	18	108.0774	0.650	27	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	107.7650	0.356	2	107.7650	0.127	2	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(CSiHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	109.9403	0.894	4	109.9403	0.800	4	108.3986	1.292	78	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:Si-4:B-4:	N[6]-4:C[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	N[6](C[6]C[6]HH)2(SiC3)(BH3)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	107.2880	0.000	1	107.2880	0.000	1	107.2880	0.000	1	108.4683	1.547	81	111.4548	5.578	1936	110.3960	4.465	4474
854	466	466	6:SP3_SP3_SP3	N[6]	C[6]	C[6]	4:4:5:1:	4:4:4:4:	4:4:4:4:	C[6]-4:C[6]-4:Si-5:H-1:	N[6]-4:C[6]-4:C-4:C-4:	N[6]-4:C[6]-4:C-4:C-4:	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H)	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	111.4548	5.578	1936	110.3960	4.465	4474