930	542	880	0:SP2_SP2_SP3	C	N[5]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-3:	C-3:C-4:C-4:C-4:	C(C[5]C[5]2)(N[5]C[5]2)(SiC3)	N[5](C[5]C[5,6a]O)2(CC[5]Si)	Si(CC[5]N[5])(CH3)3	C(C[5]C[5]2)(N[5]C[5]2)(SiC3)	N[5](C[5]C[5,6a]O)2(CC[5]Si){2|C<3>}	Si(CC[5]N[5])(CH3)3	115.2410	0.000	1	115.2410	0.000	1	115.2410	0.000	1	115.8753	0.808	3	115.8753	0.808	3	115.8753	0.808	3
930	542	880	0:SP2_SP2_SP3	C	N[5]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6]-3:N[5]-3:Si-4:	C[5]-3:C[5]-3:C-3:	C-3:C-4:C-4:C-4:	C(C[6]C[6]2)(N[5]C[5]2)(SiC3)	N[5](C[5]C[5,6a]O)2(CC[6]Si)	Si(CC[6]N[5])(CH3)3	C(C[6]C[6]2)(N[5]C[5]2)(SiC3)	N[5](C[5]C[5,6a]O)2(CC[6]Si){2|C<3>}	Si(CC[6]N[5])(CH3)3	116.1925	1.006	2	116.1925	1.012	2	116.1925	1.012	2	115.8753	0.808	3	115.8753	0.808	3	115.8753	0.808	3
930	542	893	0:SP2_SP2_SP2	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C-3:C-4:	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	O(CN[5,5]O)(CC3)	111.2060	1.899	2	111.3230	1.221	4	111.3230	1.221	4	110.5120	1.746	7	110.5504	1.509	8	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C-3:C-4:	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	O(CN[5,5]O)(CC3)	111.4400	0.030	2	111.3230	1.221	4	111.3230	1.221	4	110.5120	1.746	7	110.5504	1.509	8	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[5,5]O)(CC3)	109.0770	0.000	1	109.0770	0.000	1	109.4307	0.338	3	110.5120	1.746	7	110.5504	1.509	8	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	O(CN[5,5]O)(CC3)	110.1020	0.000	1	110.1020	0.000	1	109.4307	0.338	3	110.5120	1.746	7	110.5504	1.509	8	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,7|H<1>}	O(CN[5,5]O)(CC3)	109.1130	0.000	1	109.1130	0.000	1	109.4307	0.338	3	110.5120	1.746	7	110.5504	1.509	8	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,5]	O	3:2:1:	4:4:3:	4:3:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-4:C-3:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2H)2(COO)	O(CC[6a]HH)(CN[5,5]O)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2H)2(COO){1|C<3>,7|H<1>}	O(CC[6a]HH)(CN[5,5]O)	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.5504	1.509	8	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:3:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[3,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<4>,1|O<2>,4|H<1>}	O(CN[5,6]O)(CC3)	110.5470	0.000	1	110.5470	0.000	1	110.3070	0.155	5	110.7209	0.921	7	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:3:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|Br<1>,1|C<4>,1|O<2>,3|H<1>}	O(CN[5,6]O)(CC3)	110.0357	0.074	3	110.2470	0.182	4	110.3070	0.155	5	110.7209	0.921	7	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:3:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]O)(COO){1|C<3>,1|C<4>,4|H<1>}	O(CN[5,6]O)(CC3)	110.8810	0.000	1	110.2470	0.182	4	110.3070	0.155	5	110.7209	0.921	7	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:3:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:N[5,6]-3:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]N[5,6])(OC)(O)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]N[5,6])(OC)(O)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>,3|C<4>}	O(CN[5,6]O)(CC3)	112.7320	0.000	1	111.7555	1.907	2	111.7555	1.907	2	110.7209	0.921	7	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:3:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:N[5,6]-3:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]N[5,6])(OC)(O)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]N[5,6])(OC)(O)	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO){3|C<4>,3|H<1>}	O(CN[5,6]O)(CC3)	110.7790	0.000	1	111.7555	1.907	2	111.7555	1.907	2	110.7209	0.921	7	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|C<3>,1|C<4>,4|H<1>}	O(CN[5,6]O)(CC3)	110.7880	0.000	1	109.9755	0.583	4	109.9755	0.583	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|O<2>,3|H<1>}	O(CN[5,6]O)(CC3)	109.0410	0.000	1	109.9755	0.583	4	109.9755	0.583	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|S<2>,3|H<1>}	O(CN[5,6]O)(CC3)	109.7140	0.000	1	109.9755	0.583	4	109.9755	0.583	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<2>,5|H<1>}	O(CN[5,6]O)(CC3)	110.3590	0.000	1	109.9755	0.583	4	109.9755	0.583	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|O<2>,7|H<1>}	O(CN[5,6]O)(CC3)	110.3560	0.505	2	110.5890	0.290	3	110.7037	0.246	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,2|C<4>,6|H<1>}	O(CN[5,6]O)(CC3)	111.0550	0.000	1	110.5890	0.290	3	110.7037	0.246	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	O(CN[5,6]O)(CCHH)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|F<1>,7|H<1>}	O(CN[5,6]O)(CCHH)	111.0480	0.000	1	111.0480	0.000	1	110.7037	0.246	4	110.3396	0.507	8	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	4:3:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-4:C-3:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	O(CC[6a]HH)(CN[5,6]O)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|O<2>,3|H<1>}	O(CC[6a]HH)(CN[5,6]O)	109.9470	0.031	2	110.1850	0.170	3	110.1850	0.170	3	110.5764	0.392	5	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	4:3:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-4:C-3:	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO)	O(CC[6a]HH)(CN[5,6]O)	C(N[5,6]C[5,5,6]C[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|S<2>,3|H<1>}	O(CC[6a]HH)(CN[5,6]O)	110.6610	0.000	1	110.1850	0.170	3	110.1850	0.170	3	110.5764	0.392	5	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	4:3:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-4:C-3:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	O(CC[6a]HH)(CN[5,6]O)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,2|O<2>,6|H<1>}	O(CC[6a]HH)(CN[5,6]O)	111.3630	0.000	1	111.1635	0.080	2	111.1635	0.080	2	110.5764	0.392	5	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5,6]	O	3:2:1:	4:4:3:	4:3:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-4:C-3:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	O(CC[6a]HH)(CN[5,6]O)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,8|H<1>}	O(CC[6a]HH)(CN[5,6]O)	110.9640	0.000	1	111.1635	0.080	2	111.1635	0.080	2	110.5764	0.392	5	110.5323	0.589	20	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:2:3:	3:3:	N[5]-3:O-2:O-1:	N[5]-3:S[5]-2:C-3:	C-3:C-3:	C(N[5]N[5]S[5])(OC)(O)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO)	O(CN[5]O)(CCH)	C(N[5]N[5]S[5])(OC)(O)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO){1|C<3>,1|C<4>,1|N<2>}	O(CN[5]O)(CCH)	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]C)(N[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]C)(N[5]C[5])(COO){1|O<2>,2|C<3>}	O(CN[5]O)(CCCH)	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	O(CN[5]H)(CH3)	C(N[5]C[5,6a]C[5])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]H)(CH3)	109.2500	0.308	2	109.2500	0.095	2	109.2500	0.095	2	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){2|C<4>,4|H<1>}	O(CN[5]O)(CC3)	111.2400	0.000	1	110.9125	0.215	2	110.9125	0.215	2	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)(COO){3|C<4>,3|H<1>}	O(CN[5]O)(CC3)	110.5850	0.000	1	110.9125	0.215	2	110.9125	0.215	2	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(CN[5]O)(CCHH)	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	O(CN[5]O)(CCHH)	114.5380	0.000	1	114.5380	0.000	1	114.5380	0.000	1	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.3926	0.781	8	110.3926	0.610	8	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CN[5]O)(CC3)	109.9123	0.741	4	110.2430	0.523	36	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(CN[5]O)(CC3)	110.3945	0.261	2	110.2430	0.523	36	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CN[5]O)(CC3)	110.4898	0.727	12	110.2430	0.523	36	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.1352	0.741	18	110.2430	0.523	36	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CH3)	112.4560	0.000	1	112.4560	0.000	1	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.9867	0.469	3	110.9867	0.220	3	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CN[5]O)(CC3)	110.0137	0.865	3	110.1749	0.649	19	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.2051	0.821	16	110.1749	0.649	19	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CCHH)	112.3980	0.040	2	112.3980	0.002	2	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(CN[5]O)(CC3)	109.5450	0.000	1	109.5450	0.000	1	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	110.8610	0.000	1	110.8610	0.000	1	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(CN[5]O)(CC3)	111.5540	0.000	1	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	O(CN[5]O)(CC3)	110.8038	0.446	8	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|F<1>}	O(CN[5]O)(CC3)	107.8430	0.000	1	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	110.3480	0.000	1	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<2>,3|C<3>}	O(CN[5]O)(CC3)	110.4960	0.000	1	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<3>,3|C<3>}	O(CN[5]O)(CC3)	110.4100	0.000	1	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.3899	0.987	20	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	O(CN[5]O)(CC3)	110.4625	0.559	8	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	O(CN[5]O)(CC3)	110.9767	1.027	3	110.4888	0.793	44	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	O(CN[5]O)(CH3)	112.2583	0.617	3	112.2583	0.381	3	110.4586	0.820	118	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]O)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]O)2(COO){2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	109.7220	0.000	1	109.7220	0.000	1	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO){4|C<3>}	O(CN[5]O)(CC3)	108.0940	0.000	1	108.0940	0.000	1	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]O)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]O)2(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[5]O)(CC3)	108.8570	0.000	1	108.8570	0.000	1	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){2|H<1>}	O(CN[5]O)(CC3)	108.2750	0.000	1	108.2750	0.000	1	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]H)(C[5]N[5]S)(COO){1|C<4>,1|H<1>}	O(CN[5]O)(CCHH)	108.1990	0.000	1	108.1990	0.000	1	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]H)(C[5]S[5]N)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]H)(C[5]S[5]N)(COO){1|H<1>}	O(CN[5]O)(CC3)	109.5195	0.282	2	109.5195	0.080	2	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]O)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]O)2(COO){1|C<3>,1|C<4>,1|H<1>}	O(CN[5]O)(CC3)	109.2420	0.479	2	109.2450	0.087	4	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]O)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]O)2(COO){2|C<4>}	O(CN[5]O)(CC3)	109.2480	0.180	2	109.2450	0.087	4	109.0151	0.365	11	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO){1|C<4>,3|C<3>}	O(CN[5]O)(CCHH)	110.9190	0.000	1	110.9190	0.000	1	109.6983	6.108	3	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]N[5]H)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]N[5]H)(N[5]C[5]C)(COO){2|C<3>}	O(CN[5]O)(CC3)	106.8540	0.000	1	106.8540	0.000	1	109.6983	6.108	3	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]N[5]S)(N[5]C[5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]N[5]S)(N[5]C[5]C)(COO){2|C<3>}	O(CN[5]O)(CCCH)	111.3220	0.000	1	111.3220	0.000	1	109.6983	6.108	3	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	N[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]N[5]2)(OC)(O)	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO)	O(CN[5]O)(CC3)	C(N[5]N[5]2)(OC)(O)	N[5](N[5]N[5,6]C[6a])(N[5]C[5,6]C)(COO){1|H<1>,4|C<3>}	O(CN[5]O)(CC3)	108.3470	0.000	1	108.3470	0.000	1	108.3470	0.000	1	110.3292	1.151	139	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(CC[6a]HH)(CN[5]O)	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[4,5,6]C[6])(C[5]C[4,5]HH)(COO){2|C<3>,2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[3,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	O(CN[5]O)(CH3)	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[4,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[4,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[4,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO){2|C<4>,3|C<3>,3|H<1>}	O(CN[5]O)(CC3)	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	O(CN[5]O)(CC3)	109.7460	0.000	1	110.3330	0.138	6	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(CN[5]O)(CC3)	110.4640	0.000	1	110.3330	0.138	6	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	O(CN[5]O)(CC3)	110.3315	0.175	2	110.3330	0.138	6	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	O(CN[5]O)(CC3)	110.5625	0.439	2	110.3330	0.138	6	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	O(CN[5]O)(CCHH)	109.5060	0.000	1	111.0199	1.469	7	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	O(CN[5]O)(CCHH)	109.8755	0.008	2	111.0199	1.469	7	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<4>,2|H<1>,3|C<3>}	O(CN[5]O)(CCHH)	111.9705	0.311	4	111.0199	1.469	7	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	O(CN[5]O)(CH3)	110.2880	0.588	2	110.8837	1.238	3	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	O(CN[5]O)(CH3)	112.0750	0.000	1	110.8837	1.238	3	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	O(CN[5]O)(CH3)	110.3330	0.000	1	110.3330	0.000	1	110.7130	0.859	17	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){3|H<1>,4|C<3>}	O(CN[5]O)(CCHH)	110.0660	0.000	1	110.0660	0.000	1	110.9252	0.784	9	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(CN[5]O)(CH3)	110.9910	0.000	1	110.5595	0.372	2	110.9252	0.784	9	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,3|C<3>,4|H<1>}	O(CN[5]O)(CH3)	110.1280	0.000	1	110.5595	0.372	2	110.9252	0.784	9	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	O(CN[5]O)(CC3)	109.4530	0.000	1	109.4530	0.000	1	110.9252	0.784	9	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O(CN[5]O)(CH3)	111.7090	0.000	1	111.5378	0.212	5	110.9252	0.784	9	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	O(CN[5]O)(CH3)	111.4950	0.520	4	111.5378	0.212	5	110.9252	0.784	9	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	109.4350	0.000	1	109.4350	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO){2|H<1>,2|O<2>,3|C<3>}	O(CN[5]O)(CC3)	109.9400	0.000	1	109.9400	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CN[5]O)(CCHH)	111.2767	1.314	3	110.8312	1.645	5	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(CN[5]O)(CCHH)	110.1630	1.280	2	110.8312	1.645	5	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CN[5]O)(CCHH)	110.6910	0.000	1	110.6910	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO){2|C<3>,3|H<1>}	O(CN[5]O)(CCCH)	111.2860	0.000	1	111.2860	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO){2|C<3>,3|H<1>}	O(CN[5]O)(CH3)	111.8260	0.000	1	111.8260	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|C<3>,3|H<1>}	O(CN[5]O)(CC3)	108.9520	0.000	1	108.9520	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){1|H<1>,3|C<3>}	O(CN[5]O)(CC3)	108.4590	0.000	1	108.4590	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){2|C<3>,3|H<1>}	O(CN[5]O)(CH3)	110.2460	0.000	1	110.2460	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO){1|O<2>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	108.8240	0.184	2	108.8240	0.034	2	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO){2|H<1>,3|C<3>}	O(CN[5]O)(CH3)	109.9450	0.000	1	109.9450	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO){1|O<2>,2|H<1>,4|C<3>}	O(CN[5]O)(CH3)	111.9200	0.437	2	111.9200	0.191	2	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){1|C<4>,2|H<1>,4|C<3>}	O(CN[5]O)(CH3)	110.0735	0.764	2	110.0835	0.232	4	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	O(CN[5]O)(CH3)	110.0935	0.332	2	110.0835	0.232	4	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	108.6140	0.000	1	108.6140	0.000	1	110.2336	1.414	23	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	N[5,5]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]N[5,5]C[5])(OC)(O)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO)	O(CN[5]O)(CH3)	C(N[5]N[5,5]C[5])(OC)(O)	N[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(COO){2|C<3>,2|C<4>,2|H<1>}	O(CN[5]O)(CH3)	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	110.4794	1.158	54	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	3:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,5]-3:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5]O)	110.0035	1.087	2	110.0035	1.181	2	110.0035	1.181	2	110.0035	1.181	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:N[5]-2:C-3:	C-3:C-4:	C(N[5]C[5,5]N[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,5]N[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(CN[5]O)(CCHH)	111.9910	0.000	1	111.9910	0.000	1	111.9910	0.000	1	110.2798	9.088	5	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]N)(N[5]C[5])(COO){2|H<1>,3|C<3>}	O(CN[5]O)(CCHH)	112.4070	0.598	2	112.4070	0.358	2	112.4070	0.358	2	110.2798	9.088	5	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	110.2798	9.088	5	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	Si[5,6]-4:N[5]-2:C-3:	C-3:C-4:	C(N[5]Si[5,6]N[5])(OC)(O)	N[5](Si[5,6]N[6]2O[5])(N[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]Si[5,6]N[5])(OC)(O)	N[5](Si[5,6]N[6]2O[5])(N[5]C[5])(COO){1|O<2>,4|C<3>}	O(CN[5]O)(CCCH)	105.5330	0.000	1	105.5330	0.000	1	105.5330	0.000	1	110.2798	9.088	5	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:2:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-2:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5])(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5]O)	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	111.0250	1.627	3	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:2:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-4:C-3:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	111.4945	1.389	2	111.4945	1.931	2	111.4945	1.931	2	111.0250	1.627	3	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:C-3:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(COO)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(CN[5]O)(COO)	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	109.0613	1.699	4	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:3:	N[5]-3:O-2:O-1:	C[5,6]-4:N[5]-3:C-3:	C-3:C-3:	C(N[5]C[5,6]N[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO)	O(CN[5]O)(CCH)	C(N[5]C[5,6]N[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O(CN[5]O)(CCH)	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	109.0613	1.699	4	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(OC[6a])(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO)	O(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5]2)(OC[6a])(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO){3|H<1>}	O(C[6a]C[6a]2)(CN[5]O)	107.8930	0.000	1	107.8930	0.000	1	108.5185	0.783	2	109.0613	1.699	4	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(OC[6a])(O)	N[5](C[5]C[5]HH)(C[5]S[5]S)(COO)	O(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5]2)(OC[6a])(O)	N[5](C[5]C[5]HH)(C[5]S[5]S)(COO){2|H<1>}	O(C[6a]C[6a]2)(CN[5]O)	109.1440	0.000	1	109.1440	0.000	1	108.5185	0.783	2	109.0613	1.699	4	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	O(CN[5]O)(CH3)	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	O(CN[5]O)(CC3)	109.3800	0.496	2	109.3800	0.246	2	109.7417	0.325	4	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	O(CN[5]O)(CC3)	110.1035	0.453	2	110.1035	0.205	2	109.7417	0.325	4	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(COO){1|C<3>,3|H<1>}	O(CN[5]O)(CC3)	109.6420	0.000	1	109.6420	0.000	1	108.6485	1.974	2	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3]2C[5])(C[5]N[5]O)(COO){2|Cl<1>,1|C<3>,4|H<1>}	O(CN[5]O)(CC3)	107.6550	0.000	1	107.6550	0.000	1	108.6485	1.974	2	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3x5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>,4|C<4>}	O(CN[5]O)(CH3)	111.2330	0.000	1	111.2330	0.000	1	110.9975	0.111	2	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[3x5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	O(CN[5]O)(CH3)	110.7620	0.000	1	110.7620	0.000	1	110.9975	0.111	2	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[4,5,5]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CC3)	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	O(CN[5]O)(CC3)	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,3x6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,3x6]C[5,6a])(OC)(O)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,3x6]C[5,6a])(OC)(O)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,4|C<4>,4|H<1>}	O(CN[5]O)(CH3)	111.7250	0.000	1	111.7250	0.000	1	111.7250	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,4x6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,4x6]C[5,6a])(OC)(O)	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,4x6]C[5,6a])(OC)(O)	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	O(CN[5]O)(CH3)	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,3x6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,3x6]C[5,6a])(OC)(O)	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5,3x6]C[5,6a])(OC)(O)	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	O(CN[5]O)(CH3)	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6,6]C[5,6a])(OC)(O)	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6,6]C[5,6a])(OC)(O)	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|H<1>,5|C<4>}	O(CN[5]O)(CH3)	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	O(CN[5]O)(CCHH)	111.3400	0.000	1	111.3400	0.000	1	111.6890	0.984	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	O(CN[5]O)(CC3)	110.1470	0.000	1	110.1470	0.000	1	111.6890	0.984	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	O(CN[5]O)(CH3)	112.3530	0.000	1	112.3530	0.000	1	111.6890	0.984	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	O(CN[5]O)(CCHH)	111.2525	0.486	2	111.2525	0.236	2	111.6890	0.984	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	O(CN[5]O)(CH3)	113.0050	0.000	1	112.7390	0.142	2	111.6890	0.984	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	O(CN[5]O)(CH3)	112.4730	0.000	1	112.7390	0.142	2	111.6890	0.984	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	O(CN[5]O)(CH3)	112.0370	0.000	1	112.0370	0.000	1	109.9566	2.041	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(COO){1|C<4>,2|O<2>,4|H<1>}	O(CN[5]O)(CC3)	111.9870	0.000	1	111.9870	0.000	1	109.9566	2.041	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(CN[5]O)(CC3)	109.4860	0.000	1	109.4860	0.000	1	109.9566	2.041	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	108.9695	0.375	2	108.9695	0.141	2	109.9566	2.041	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(COO){1|N<3>,1|O<1>,4|C<3>}	O(CN[5]O)(CC3)	109.3410	0.000	1	109.3410	0.000	1	109.9566	2.041	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5]O)(COO){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(CN[5]O)(CC3)	108.9060	0.000	1	108.9060	0.000	1	109.9566	2.041	7	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]N[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5,5]N[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O(CN[5]O)(CCCH)	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|N<3>,4|C<3>}	O(CN[5]O)(CC3)	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){1|Br<1>,2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	110.7600	0.000	1	110.9295	0.057	2	110.0378	0.785	5	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){2|C<4>,2|O<2>,3|H<1>}	O(CN[5]O)(CC3)	111.0990	0.000	1	110.9295	0.057	2	110.0378	0.785	5	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(COO){1|C<4>,2|C<3>,4|H<1>}	O(CN[5]O)(CH3)	109.1590	0.000	1	109.1590	0.000	1	110.0378	0.785	5	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(COO){2|N<3>,6|H<1>}	O(CN[5]O)(CC3)	109.1900	0.000	1	109.1900	0.000	1	110.0378	0.785	5	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]C)(COO){3|C<3>,3|H<1>}	O(CN[5]O)(CC3)	109.9810	0.000	1	109.9810	0.000	1	110.0378	0.785	5	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]N[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5,6]N[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(N[5]S[5]C)(COO){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	O(CN[5]O)(CCCH)	111.3930	0.000	1	111.3930	0.000	1	111.0010	0.307	2	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6]N[5])(OC)(O)	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]N[5])(OC)(O)	N[5](C[5,6]C[6,6a]N[5,6]H)(N[5]N[5]C)(COO){4|C<3>}	O(CN[5]O)(CC3)	110.6090	0.000	1	110.6090	0.000	1	111.0010	0.307	2	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(COO){1|C<3>,1|C<4>,1|H<1>}	O(CN[5]O)(CH3)	108.2830	0.000	1	108.2830	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]HH)(C[5]N[5]O)(COO){1|C<3>,2|C<4>}	O(CN[5]O)(CC3)	102.8860	0.000	1	102.8860	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[4,5]CC)(C[5]C[4,5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[4,5]CC)(C[5]C[4,5]O)(COO){2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	110.7160	0.000	1	110.7160	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(COO){2|H<1>,4|C<3>}	O(CN[5]O)(CC3)	110.4400	0.000	1	110.4400	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]O)(COO){1|C<3>,2|H<1>}	O(CN[5]O)(CC3)	109.5010	0.000	1	109.5010	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	O(CN[5]O)(CC3)	110.4010	0.000	1	110.4010	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|C<3>,1|H<1>}	O(CN[5]O)(CC3)	109.0045	0.209	2	109.3749	1.826	16	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	109.3980	0.000	1	109.3749	1.826	16	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|Si<4>,1|H<1>,2|C<4>}	O(CN[5]O)(CC3)	108.1260	0.000	1	109.3749	1.826	16	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){2|H<1>}	O(CN[5]O)(CC3)	109.5387	1.513	12	109.3749	1.826	16	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]N)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]N)(COO){3|H<1>}	O(CN[5]O)(CC3)	108.9990	0.000	1	108.9990	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(COO){2|H<1>}	O(CN[5]O)(CC3)	112.0540	0.000	1	112.0540	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]S)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]S)(COO){2|H<1>}	O(CN[5]O)(CC3)	107.6090	0.000	1	107.6090	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]S[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]S[5]O)(COO){2|H<1>}	O(CN[5]O)(CC3)	108.2360	0.000	1	108.2360	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]C[6]H)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]C[6]H)(C[5]C[5]O)(COO){1|C<3>,1|N<3>,3|H<1>}	O(CN[5]O)(CC3)	109.1675	0.494	2	109.1675	0.244	2	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	O(CN[5]O)(CC3)	110.6910	0.000	1	110.3170	0.280	2	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]C)(COO){1|C<3>,2|C<2>}	O(CN[5]O)(CC3)	109.9430	0.000	1	110.3170	0.280	2	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<3>,2|H<1>}	O(CN[5]O)(CC3)	112.5230	0.000	1	109.9090	3.416	6	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	O(CN[5]O)(CC3)	109.3235	1.713	4	109.9090	3.416	6	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|C<4>,3|H<1>}	O(CN[5]O)(CC3)	109.6370	0.000	1	109.9090	3.416	6	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COO){1|C<4>,2|H<1>}	O(CN[5]O)(CCHH)	109.1510	0.000	1	109.1510	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]N)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]N)(COO){2|H<1>}	O(CN[5]O)(CC3)	108.9960	0.000	1	108.9960	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HO)(C[5]C[5]O)(COO){1|C<4>,1|H<1>}	O(CN[5]O)(CC3)	109.6070	0.000	1	109.6070	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(COO){1|O<2>,2|C<3>,3|H<1>}	O(CN[5]O)(CC3)	109.8280	0.000	1	109.8280	0.000	1	109.3782	2.771	40	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(COO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(CN[5]O)(CCCH)	108.7250	0.000	1	108.7250	0.000	1	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|C<4>,3|H<1>}	O(CN[5]O)(CC3)	108.7700	0.000	1	108.9980	0.104	2	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	109.2260	0.000	1	108.9980	0.104	2	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){1|C<4>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	110.3040	0.000	1	111.2220	1.685	2	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	112.1400	0.000	1	111.2220	1.685	2	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO){1|H<1>,1|O<2>,5|C<3>}	O(CN[5]O)(CCHH)	112.2660	0.000	1	112.2660	0.000	1	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	O(CN[5]O)(CC3)	111.5120	0.000	1	111.5120	0.000	1	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){1|S<2>,2|C<3>}	O(CN[5]O)(CCCH)	107.6770	0.000	1	107.6770	0.000	1	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO){5|C<3>}	O(CN[5]O)(CCHH)	111.8390	0.000	1	111.8390	0.000	1	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]N[5]CC)(N[5]C[5]C)(COO){1|C<3>}	O(CN[5]O)(CCHH)	112.7160	0.000	1	112.7160	0.000	1	110.5175	3.256	10	109.9891	2.614	87	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5,3x6]-4:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5,3x6]C[5])(OC)(O)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]N[5]O)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,3x6]C[5])(OC)(O)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]N[5]O)(COO){1|C<3>,2|C<4>,5|H<1>}	O(CC[6a]HH)(CN[5]O)	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-4:C-3:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(CC[6a]HH)(CN[5]O)	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]O)(COO){1|N<3>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	109.7000	0.000	1	109.7000	0.000	1	111.3392	1.025	5	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]O)(COO){3|H<1>}	O(CC[6a]HH)(CN[5]O)	112.3560	0.000	1	112.3560	0.000	1	111.3392	1.025	5	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]H)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]H)(COO){3|H<1>}	O(CC[6a]HH)(CN[5]O)	111.3060	0.000	1	111.3060	0.000	1	111.3392	1.025	5	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(COO){1|N<2>,2|H<1>}	O(CC[6a]HH)(CN[5]O)	111.9520	0.000	1	111.9520	0.000	1	111.3392	1.025	5	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]S[5]CH)(C[5]C[5]O)(COO){2|H<1>}	O(CC[6a]HH)(CN[5]O)	111.3820	0.000	1	111.3820	0.000	1	111.3392	1.025	5	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-3:C-3:	C[6]-4:C-3:	C(N[5]C[5]2)(OC[6])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO)	O(C[6]C[6]2H)(CN[5]O)	C(N[5]C[5]2)(OC[6])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO){2|C<3>}	O(C[6]C[6]2H)(CN[5]O)	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO){1|C<3>,1|H<1>,2|C<4>}	O(CC[6a]HH)(CN[5]O)	110.9300	0.000	1	110.9300	0.000	1	111.3853	0.194	3	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CC)(N[5]C[5]C)(COO){1|C<3>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	111.4180	0.000	1	111.4180	0.000	1	111.3853	0.194	3	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<3>,2|H<1>}	O(CC[6a]HH)(CN[5]O)	111.8080	0.000	1	111.8080	0.000	1	111.3853	0.194	3	111.3705	1.051	11	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C[6a]-3:C-3:	C(N[5]C[5,6]C[5])(OC[6a])(O)	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO)	O(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5,6]C[5])(OC[6a])(O)	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CN[5]O)	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	111.3380	0.000	1	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5]-4:C[3,5]-4:C-3:	C-3:C-4:	C(N[5]C[3,5]2)(OC)(O)	N[5](C[3,5]C[3,5]C[3]H)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[3,5]2)(OC)(O)	N[5](C[3,5]C[3,5]C[3]H)2(COO){2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[3x5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[3x5]C[5])(OC)(O)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[3x5]C[5])(OC)(O)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	O(CN[5]O)(CCHH)	111.4380	0.000	1	111.4403	0.092	3	111.4403	0.092	3	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[3x5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[3x5]C[5])(OC)(O)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[3x5]C[5])(OC)(O)	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	O(CN[5]O)(CCHH)	111.4415	0.428	2	111.4403	0.092	3	111.4403	0.092	3	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[4,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	O(CN[5]O)(CC3)	112.5680	0.294	2	112.5680	0.087	2	112.5680	0.087	2	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5,6]C[5])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	O(CN[5]O)(CC3)	111.7020	2.578	2	111.7020	6.647	2	111.8970	3.437	3	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5])(OC)(O)	N[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5,6]C[5])(OC)(O)	N[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(CN[5]O)(CC3)	112.2870	0.000	1	112.2870	0.000	1	111.8970	3.437	3	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5,6])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5,6])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	O(CN[5]O)(CC3)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	108.7580	0.000	1	108.7580	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	109.8520	0.000	1	109.8520	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	111.1720	0.000	1	111.1720	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO){1|C<2>,1|C<3>,1|O<2>,4|H<1>}	O(CN[5]O)(CH3)	110.6680	0.000	1	110.6680	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,2|H<1>,4|C<4>}	O(CN[5]O)(CC3)	110.7630	0.000	1	110.8547	0.031	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	O(CN[5]O)(CC3)	111.0570	0.000	1	110.8547	0.031	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	O(CN[5]O)(CC3)	110.7440	0.000	1	110.8547	0.031	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO){1|C<4>,3|C<3>,3|H<1>}	O(CN[5]O)(CC3)	110.6120	0.000	1	110.6120	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(COO){1|F<1>,2|H<1>,3|C<3>}	O(CN[5]O)(CC3)	112.4750	0.000	1	112.4750	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|C<4>,2|H<1>,3|C<3>}	O(CN[5]O)(CC3)	109.2780	0.000	1	110.0703	1.684	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|N<2>,2|C<3>,3|H<1>}	O(CN[5]O)(CC3)	109.3650	0.000	1	110.0703	1.684	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){2|H<1>,4|C<3>}	O(CN[5]O)(CC3)	111.5680	0.000	1	110.0703	1.684	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|Br<1>,2|H<1>,3|C<3>}	O(CN[5]O)(CC3)	111.4570	0.000	1	111.0300	0.365	2	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){2|H<1>,4|C<3>}	O(CN[5]O)(CC3)	110.6030	0.000	1	111.0300	0.365	2	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	O(CN[5]O)(CCHH)	111.0420	0.000	1	111.0420	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(CN[5]O)(CC3)	110.8035	0.411	2	110.8035	0.169	2	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(CN[5]O)(CC3)	110.2650	0.000	1	110.2650	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]O)(COO){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O(CN[5]O)(CC3)	109.7890	0.000	1	109.7890	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	109.5727	0.925	3	109.5727	0.856	3	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	O(CN[5]O)(CC3)	110.4810	0.000	1	110.4810	0.000	1	110.4467	0.844	23	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6,6]C[5])(OC)(O)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6,6]C[5])(OC)(O)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	O(CN[5]O)(CC3)	109.5910	0.000	1	109.5910	0.000	1	110.4140	1.355	2	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6,6]C[5])(OC)(O)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6,6]C[5])(OC)(O)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	111.2370	0.000	1	111.2370	0.000	1	110.4140	1.355	2	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5,6])(OC)(O)	N[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5]2O[5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5,6])(OC)(O)	N[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5]2O[5])(COO){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O(CN[5]O)(CC3)	108.2710	0.000	1	108.2710	0.000	1	108.2710	0.000	1	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	110.3550	0.000	1	110.3550	0.000	1	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(CN[5]O)(CC3)	110.4300	0.000	1	110.4300	0.000	1	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO){1|I<1>,1|O<2>,2|C<4>,3|H<1>}	O(CN[5]O)(CC3)	110.8740	0.000	1	110.8740	0.000	1	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){1|O<2>,2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	109.9580	0.000	1	110.0910	0.035	2	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){2|C<4>,5|H<1>}	O(CN[5]O)(CC3)	110.2240	0.000	1	110.0910	0.035	2	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	O(CN[5]O)(CH3)	111.2020	0.000	1	111.2020	0.000	1	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO){2|C<4>,3|H<1>}	O(CN[5]O)(CC3)	110.5350	0.000	1	110.5350	0.000	1	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO){2|N<3>,2|O<1>,4|H<1>}	O(CN[5]O)(CC3)	110.8810	0.000	1	111.8880	2.028	2	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO){3|C<4>,7|H<1>}	O(CN[5]O)(CC3)	112.8950	0.000	1	111.8880	2.028	2	110.8171	0.751	9	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]S[5])(OC)(O)	N[5](C[5,6]C[5,6]O[6]H)(S[5]O[5]OO)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6]S[5])(OC)(O)	N[5](C[5,6]C[5,6]O[6]H)(S[5]O[5]OO)(COO){1|H<1>,2|C<4>}	O(CN[5]O)(CH3)	109.7705	0.168	2	109.7705	0.028	2	109.7705	0.028	2	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO){2|O<2>,4|H<1>}	O(CN[5]O)(CC3)	112.3040	0.000	1	112.3040	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO){1|C<4>,2|H<1>}	O(CN[5]O)(CC3)	110.1340	0.000	1	110.1340	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO){1|O<2>,2|C<3>,2|H<1>}	O(CN[5]O)(CCHH)	111.1030	0.000	1	111.1030	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	110.9710	0.000	1	110.9710	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO){1|Cl<1>,1|O<2>,2|C<4>}	O(CN[5]O)(CC3)	110.8040	0.000	1	110.8040	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(CN[5]O)(CC3)	109.3980	0.000	1	109.3980	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO){1|F<1>,3|C<4>}	O(CN[5]O)(CC3)	109.6980	0.000	1	109.6980	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO){1|H<1>,1|N<3>,2|C<4>}	O(CN[5]O)(CC3)	110.5780	0.000	1	110.5780	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO){1|C<3>,1|H<1>,1|O<2>}	O(CN[5]O)(CC3)	112.5300	0.000	1	112.5300	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]CH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]CH)2(COO){2|H<1>,2|O<2>}	O(CN[5]O)(CC3)	111.1690	0.000	1	111.1690	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	O(CN[5]O)(CC3)	109.6080	0.000	1	109.6080	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5a]HH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5a]HH)2(COO){1|C<3>,1|N<3>}	O(CN[5]O)(CC3)	109.8910	0.747	2	109.8910	0.558	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	O(CN[5]O)(CC3)	110.8240	0.000	1	110.8240	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CN[5]O)(CCHH)	110.4905	0.305	2	110.4905	0.093	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	111.3880	0.000	1	111.3880	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6a]CH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6a]CH)2(COO){2|C<3>}	O(CN[5]O)(CC3)	110.4990	0.000	1	110.4990	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CN[5]O)(CC3)	108.7255	0.753	2	108.7255	0.567	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,5|H<1>}	O(CN[5]O)(CC3)	111.5437	1.158	3	111.0628	1.819	4	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){2|N<3>,4|H<1>}	O(CN[5]O)(CC3)	109.6200	0.000	1	111.0628	1.819	4	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<3>,1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	110.6530	0.000	1	110.5080	0.042	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	110.3630	0.000	1	110.5080	0.042	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	O(CN[5]O)(CC3)	111.2610	0.000	1	111.2610	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO){4|H<1>}	O(CN[5]O)(CC3)	110.6510	0.000	1	110.6510	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(COO){4|H<1>}	O(CN[5]O)(CC3)	110.1080	0.000	1	110.1080	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){1|C<4>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	111.2515	0.002	2	110.7265	0.675	4	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){1|H<1>,1|O<2>,2|C<4>}	O(CN[5]O)(CC3)	109.5220	0.000	1	110.7265	0.675	4	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){2|H<1>}	O(CN[5]O)(CC3)	110.8810	0.000	1	110.7265	0.675	4	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO){1|O<1>}	O(CN[5]O)(CC3)	111.4290	0.000	1	111.4290	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,3|H<1>}	O(CN[5]O)(CC3)	112.2060	0.033	2	110.4632	0.836	45	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|F<1>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	110.4407	0.064	3	110.4632	0.836	45	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	111.0545	0.686	8	110.4632	0.836	45	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|F<1>,2|H<1>}	O(CN[5]O)(CC3)	109.3887	0.799	3	110.4632	0.836	45	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	O(CN[5]O)(CC3)	110.2933	0.824	29	110.4632	0.836	45	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	O(CN[5]O)(CCHH)	110.0270	0.000	1	110.0270	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	O(CN[5]O)(CH3)	110.6130	0.000	1	110.6130	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	O(CN[5]O)(CC3)	110.9650	0.000	1	110.9650	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]CO)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]CO)(COO){1|C<4>,1|O<1>}	O(CN[5]O)(CC3)	109.3800	0.004	2	109.3800	0.000	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){1|C<4>,1|H<1>}	O(CN[5]O)(CC3)	110.1400	0.396	2	110.8900	0.812	23	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	O(CN[5]O)(CC3)	110.9614	0.908	21	110.8900	0.812	23	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){2|H<1>}	O(CN[5]O)(CC3)	109.4575	0.422	2	109.4575	0.178	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){1|O<1>,2|H<1>}	O(CN[5]O)(CC3)	110.9900	0.000	1	111.3950	0.328	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){2|H<1>}	O(CN[5]O)(CC3)	111.8000	0.000	1	111.3950	0.328	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO){1|C<4>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	110.6625	0.407	2	110.8010	0.334	6	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	110.8702	0.695	4	110.8010	0.334	6	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO)	O(CN[5]O)(CH3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	O(CN[5]O)(CH3)	110.9940	0.000	1	110.9940	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	110.1910	0.546	2	110.1910	0.298	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO){2|Br<1>,2|H<1>}	O(CN[5]O)(CCCH)	111.0560	0.000	1	111.0560	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO){1|C<3>,1|H<1>}	O(CN[5]O)(CC3)	110.4360	0.000	1	110.4360	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO){2|H<1>}	O(CN[5]O)(CC3)	110.2310	0.000	1	110.2310	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO){1|C<4>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	111.4160	0.355	2	111.0910	0.233	5	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO){1|H<1>,1|O<2>,2|C<4>}	O(CN[5]O)(CC3)	110.8770	0.000	1	111.0910	0.233	5	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO){1|P<4>,3|H<1>}	O(CN[5]O)(CC3)	111.3490	0.000	1	111.0910	0.233	5	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO){1|S<4>,3|H<1>}	O(CN[5]O)(CC3)	110.3970	0.000	1	111.0910	0.233	5	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO){4|H<1>}	O(CN[5]O)(CC3)	110.8510	0.000	1	110.8510	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	111.5580	0.058	2	111.5580	0.003	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	110.5415	1.200	2	110.5415	1.440	2	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|C<4>}	O(CN[5]O)(CC3)	110.5540	0.000	1	110.5070	0.428	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	O(CN[5]O)(CC3)	111.3050	0.000	1	110.5070	0.428	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	O(CN[5]O)(CC3)	110.6070	0.000	1	110.5070	0.428	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	110.0730	0.000	1	110.5070	0.428	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	O(CN[5]O)(CC3)	110.0780	0.600	2	110.5070	0.428	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	O(CN[5]O)(CC3)	110.6227	0.954	3	110.5070	0.428	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO){1|H<1>,5|C<3>}	O(CN[5]O)(CC3)	110.0850	0.000	1	110.0850	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	109.4080	0.000	1	109.4080	0.000	1	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	111.1163	1.329	9	111.1163	1.767	9	110.6323	0.829	153	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<4>}	O(CN[5]O)(CH3)	109.5220	0.379	2	109.5220	0.144	2	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(S[5]N[5,5]OO)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,5]C[6a]H)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<3>,2|C<4>}	O(CN[5]O)(CH3)	110.1050	0.000	1	110.1050	0.000	1	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)(COO){1|H<1>,2|C<4>}	O(CN[5]O)(CC3)	109.6770	0.000	1	109.6770	0.000	1	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO){1|C<4>,1|H<1>}	O(CN[5]O)(CC3)	109.4090	0.127	2	109.4090	0.016	2	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5]HH)(S[5]O[5]OO)(COO){1|C<3>,1|C<4>}	O(CN[5]O)(CH3)	109.9035	0.473	2	109.9035	0.224	2	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO){1|C<4>,1|H<1>,2|C<3>}	O(CN[5]O)(CC3)	108.8190	0.000	1	108.1073	0.228	4	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[6a]C[5]H)(S[5]O[5]OO)(COO){1|H<1>,1|P<4>,2|C<3>}	O(CN[5]O)(CC3)	107.8700	0.068	3	108.1073	0.228	4	109.1567	0.741	12	110.5490	1.039	212	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	O(CC[6a]HH)(CN[5]O)	110.7320	0.000	1	110.7320	0.000	1	111.5618	2.715	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	112.9755	0.438	2	112.9755	0.192	2	111.5618	2.715	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(CC[6a]HH)(CN[5]O)	110.5630	1.997	2	110.5630	3.987	2	111.5618	2.715	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6,6]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,6,6]C[5])(OC)(O)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6,6]C[5])(OC)(O)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){2|C<3>,2|C<4>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	109.8140	0.000	1	109.8140	0.000	1	109.8140	0.000	1	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){2|C<4>,5|H<1>}	O(CC[6a]HH)(CN[5]O)	111.3550	0.000	1	111.8190	0.247	3	111.0892	1.164	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<4>,4|H<1>}	O(CC[6a]HH)(CN[5]O)	112.3440	0.000	1	111.8190	0.247	3	111.0892	1.164	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|O<2>,4|H<1>}	O(CC[6a]HH)(CN[5]O)	111.7580	0.000	1	111.8190	0.247	3	111.0892	1.164	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO){2|C<3>,2|C<4>,5|H<1>}	O(CC[6a]HH)(CN[5]O)	109.9945	0.408	2	109.9945	0.166	2	111.0892	1.164	5	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C[6]-4:C-3:	C(N[5]C[5,6]C[5])(OC[6])(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO)	O(C[6]C[6]2H)(CN[5]O)	C(N[5]C[5,6]C[5])(OC[6])(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]2H)(CN[5]O)	111.8260	0.672	2	111.8260	0.451	2	111.8260	0.451	2	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	O(CC[6a]HH)(CN[5]O)	111.2240	0.000	1	111.2240	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]HH)2(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]HH)2(COO){2|C<4>,2|H<1>}	O(CC[6a]HH)(CN[5]O)	111.0500	0.000	1	111.0500	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CC[6a]HH)(CN[5]O)	110.6015	0.296	2	110.7600	0.119	3	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,5|H<1>}	O(CC[6a]HH)(CN[5]O)	111.0770	0.000	1	110.7600	0.119	3	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COO)	O(CC[6a]CH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COO){2|H<1>}	O(CC[6a]CH)(CN[5]O)	111.6050	0.000	1	111.6050	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CC[5]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	O(CC[5]HH)(CN[5]O)	112.3580	0.000	1	111.3870	0.920	3	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CC[5]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	O(CC[5]HH)(CN[5]O)	110.9015	0.653	2	111.3870	0.920	3	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	O(CC[6a]HH)(CN[5]O)	111.4370	0.000	1	110.9160	0.269	9	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	O(CC[6a]HH)(CN[5]O)	110.8509	0.514	8	110.9160	0.269	9	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	O(CC[5]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){1|O<1>}	O(CC[5]HH)(CN[5]O)	109.9770	0.000	1	109.9770	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	O(CC[6a]HH)(CN[5]O)	111.6250	0.244	3	111.6250	0.059	3	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)2(COO){4|H<1>}	O(CC[6a]HH)(CN[5]O)	111.8670	0.000	1	111.8670	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]HH)2(COO){1|N<4>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	111.1500	0.000	1	111.1500	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>,2|O<2>}	O(CC[6a]HH)(CN[5]O)	111.6200	0.000	1	111.6200	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){1|O<1>,2|C<3>}	O(CC[6a]HH)(CN[5]O)	111.0020	0.000	1	111.0020	0.000	1	111.1175	0.339	26	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:	C(N[5]C[5]2)(OC[5])(O)	N[5](C[5]C[5]HH)2(COO)	O(C[5]C[5,6]C[5]H)(CN[5]O)	C(N[5]C[5]2)(OC[5])(O)	N[5](C[5]C[5]HH)2(COO){4|H<1>}	O(C[5]C[5,6]C[5]H)(CN[5]O)	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C-3:	C(N[5]C[5]2)(OC[6])(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	O(C[6]C[6]2H)(CN[5]O)	C(N[5]C[5]2)(OC[6])(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	O(C[6]C[6]2H)(CN[5]O)	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:S[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]S[5])(OC)(O)	N[5](C[5]C[5,6]HH)(S[5]N[5,6]OO)(COO){1|H<1>,2|C<4>}	O(CC[6a]HH)(CN[5]O)	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	111.1139	0.749	42	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	5:2:3:	3:4:	N[5]-3:O-2:O-1:	P[5]-5:N[5]-2:C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]C[6a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	O(CN[5]O)(CCCH)	110.8440	0.109	2	110.8440	0.012	2	111.3422	1.477	10	111.3422	1.477	10	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	5:2:3:	3:4:	N[5]-3:O-2:O-1:	P[5]-5:N[5]-2:C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|O<2>,2|C<3>}	O(CN[5]O)(CCCH)	111.7935	0.763	2	111.7935	0.582	2	111.3422	1.477	10	111.3422	1.477	10	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	5:2:3:	3:4:	N[5]-3:O-2:O-1:	P[5]-5:N[5]-2:C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO)	O(CN[5]O)(CCHH)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]N[5a]O[5]OO)(N[5]C[5])(COO){1|C<3>,1|N<2>,1|O<2>}	O(CN[5]O)(CCHH)	109.9510	0.000	1	109.9510	0.000	1	111.3422	1.477	10	111.3422	1.477	10	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	5:2:3:	3:4:	N[5]-3:O-2:O-1:	P[5]-5:N[5]-2:C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]ClOO)(N[5]C[5])(COO){1|O<2>}	O(CN[5]O)(CCCH)	112.8960	0.000	1	112.8960	0.000	1	111.3422	1.477	10	111.3422	1.477	10	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:1:	5:2:3:	3:4:	N[5]-3:O-2:O-1:	P[5]-5:N[5]-2:C-3:	C-3:C-4:	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]N[5]P[5])(OC)(O)	N[5](P[5]O[5]NOO)(N[5]C[5])(COO){1|O<2>}	O(CN[5]O)(CCCH)	111.3250	1.575	4	111.3250	2.480	4	111.3422	1.477	10	111.3422	1.477	10	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:2:2:	4:4:3:	3:4:	N[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(CC)(OC)	N[5](C[5]C[5]HH)2(CCO)	O(CN[5]C)(CH3)	C(N[5]C[5]2)(CC)(OC)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	O(CN[5]C)(CH3)	115.0030	0.605	2	115.0030	0.366	2	115.0030	0.366	2	115.0030	0.366	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:3:2:	3:3:3:	3:4:	N[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(CHN)(OC)	N[5](C[5]C[5,6a]O)2(CCO)	O(CN[5]C)(CCHH)	C(N[5]C[5]2)(CHN)(OC)	N[5](C[5]C[5,6a]O)2(CCO){2|C<3>}	O(CN[5]C)(CCHH)	116.5745	3.064	2	116.5745	9.387	2	116.5745	9.387	2	116.5745	9.387	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:3:2:	4:3:3:	3:3:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:C-3:	C(N[5]C[5]2)(CCH)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	O(CN[5]C)(CCO)	C(N[5]C[5]2)(CCH)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	O(CN[5]C)(CCO)	114.5180	0.000	1	114.5180	0.000	1	113.6435	1.530	2	113.6435	1.530	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:3:2:	4:3:3:	3:3:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:C-3:	C(N[5]C[5]2)(CC[6a]H)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	O(CC[6a]O)(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	O(CC[6a]O)(CN[5]C)	112.7690	0.000	1	112.7690	0.000	1	113.6435	1.530	2	113.6435	1.530	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:3:2:	4:3:3:	3:4:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:Si-4:	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	O(CN[5]C)(SiCCO)	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	O(CN[5]C)(SiCCO)	111.3310	0.310	2	111.3310	0.096	2	111.3310	0.096	2	111.3310	0.096	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP2	C	N[5]	O	3:3:2:	4:3:3:	4:3:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	Si-4:C-3:	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	O(SiC[6a]2C)(CN[5]C)	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<3>}	O(SiC[6a]2C)(CN[5]C)	111.9970	1.001	2	111.9970	1.003	2	111.9970	1.003	2	111.9970	1.003	2	110.5203	1.694	583	110.5211	1.652	611
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[3x5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[3x5,6]C[5,5,6])(OC)(O)	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[3x5,6]C[5,5,6])(OC)(O)	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,2|O<2>,5|H<1>}	O(CN[5,5]O)(CC3)	108.6300	0.000	1	108.6300	0.000	1	108.6300	0.000	1	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C-3:C-4:	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	O(CN[5,5]O)(CC3)	110.3940	0.000	1	111.2145	0.645	4	111.2145	0.645	4	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[4,5,5]-4:C[5,5]-4:C-3:	C-3:C-4:	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[4,5,5]C[5,5])(OC)(O)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	O(CN[5,5]O)(CC3)	111.4880	0.720	3	111.2145	0.645	4	111.2145	0.645	4	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO){1|H<1>,1|S<4>,2|C<3>,2|O<2>}	O(CN[5,5]O)(CC3)	110.1180	0.000	1	110.1180	0.000	1	109.9899	0.154	7	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	O(CN[5,5]O)(CC3)	110.0110	0.000	1	110.0110	0.000	1	109.9899	0.154	7	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,7|H<1>}	O(CN[5,5]O)(CC3)	109.8013	0.591	3	109.9600	0.225	5	109.9899	0.154	7	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|O<2>,7|H<1>}	O(CN[5,5]O)(CC3)	110.2780	0.000	1	109.9600	0.225	5	109.9899	0.154	7	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,5]	O	3:2:1:	4:4:3:	3:4:	N[5,5]-3:O-2:O-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:C-4:	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	O(CN[5,5]O)(CC3)	C(N[5,5]C[5,5,6]2)(OC)(O)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){6|H<1>}	O(CN[5,5]O)(CC3)	110.1180	0.000	1	109.9600	0.225	5	109.9899	0.154	7	110.2847	0.878	12	110.2847	0.878	12	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,6]	O	3:2:1:	4:2:3:	3:3:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C[6a]-3:C-3:	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(COO)	O(C[6a]C[6a]2)(CN[5,6]O)	C(N[5,6]C[5,5,6]O[5,6])(OC[6a])(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(COO){1|C<3>,4|H<1>}	O(C[6a]C[6a]2)(CN[5,6]O)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	109.7260	1.372	5	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,6]	O	3:2:1:	4:2:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]O[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,5,6]O[5,6])(OC)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(COO){1|C<4>,1|N<3>,4|H<1>}	O(CN[5,6]O)(CC3)	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	109.7260	1.372	5	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,5,6]C[5,6,6])(OC)(O)	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO)	O(CN[5,6]O)(CCHH)	C(N[5,6]C[5,5,6]C[5,6,6])(OC)(O)	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO){2|H<1>,4|C<3>}	O(CN[5,6]O)(CCHH)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	110.1727	0.022	3	109.7260	1.372	5	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO){1|C<3>,1|C<4>,7|H<1>}	O(CN[5,6]O)(CC3)	110.3430	0.000	1	110.3430	0.000	1	110.2265	0.027	2	110.1727	0.022	3	109.7260	1.372	5	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5,6]	O	3:2:1:	4:4:3:	3:4:	N[5,6]-3:O-2:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:C-4:	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO)	O(CN[5,6]O)(CC3)	C(N[5,6]C[5,6]2)(OC)(O)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,8|H<1>}	O(CN[5,6]O)(CC3)	110.1100	0.000	1	110.1100	0.000	1	110.2265	0.027	2	110.1727	0.022	3	109.7260	1.372	5	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:2:3:	3:4:	N[5]-3:O-2:O-1:	N[5]-3:S[5]-2:C-3:	C-3:C-4:	C(N[5]N[5]S[5])(OC)(O)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]N[5]S[5])(OC)(O)	N[5](N[5]C[5,6]C)(S[5]C[5])(COO){1|C<3>,1|C<4>,1|N<2>}	O(CN[5]O)(CCCH)	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)(COO){1|C<3>,1|H<1>,3|C<4>}	O(CN[5]O)(CC3)	107.5590	0.000	1	107.5590	0.000	1	107.5590	0.000	1	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(CN[5]O)(CC3)	110.2915	0.375	2	110.2915	0.141	2	110.2915	0.141	2	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(COO){1|S<2>,3|C<3>}	O(CN[5]O)(CC3)	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]C)(N[5]C[5]C)(COO){1|H<1>,2|C<4>}	O(CN[5]O)(CCHH)	110.2300	0.000	1	110.2300	0.000	1	109.0518	0.665	5	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){1|H<1>,2|C<3>}	O(CN[5]O)(CCCH)	108.4893	0.175	3	108.4893	0.031	3	109.0518	0.665	5	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO){4|C<3>}	O(CN[5]O)(CC3)	109.5610	0.000	1	109.5610	0.000	1	109.0518	0.665	5	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	3:4:	N[5]-3:O-2:O-1:	N[5,5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]N[5,5]C[5])(OC)(O)	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO)	O(CN[5]O)(CCCH)	C(N[5]N[5,5]C[5])(OC)(O)	N[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(CN[5]O)(CCCH)	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	109.6484	2.474	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-3:N[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]H)(N[5]C[5]C)(COO){4|H<1>}	O(CC[6a]HH)(CN[5]O)	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	O(CN[5]O)(CCHH)	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	O(CN[5]O)(CH3)	112.2065	0.176	2	112.2065	0.031	2	112.2065	0.031	2	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	109.7690	0.000	1	109.7690	0.000	1	110.3603	0.691	6	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CN[5]O)(CCHH)	109.3340	0.000	1	109.3340	0.000	1	110.3603	0.691	6	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(CN[5]O)(CCHH)	111.6080	0.000	1	111.6080	0.000	1	110.3603	0.691	6	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(CN[5]O)(CCHH)	111.0290	0.000	1	111.0290	0.000	1	110.3603	0.691	6	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){1|N<3>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	110.2480	0.000	1	110.2110	0.003	2	110.3603	0.691	6	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|H<1>,3|C<3>}	O(CN[5]O)(CC3)	110.1740	0.000	1	110.2110	0.003	2	110.3603	0.691	6	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	3:4:3:	3:4:	N[5]-3:O-2:O-1:	N[5]-3:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](N[5]C[5,5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	111.7350	0.000	1	111.7350	0.000	1	111.7350	0.000	1	110.7764	1.254	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5,5]CH)(N[5]C[5])(COO){1|O<2>,2|C<3>}	O(CN[5]O)(CCHH)	112.4525	0.510	2	112.4525	0.260	2	112.4525	0.260	2	110.5025	4.478	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(COO){1|C<4>,1|O<2>,2|H<1>}	O(CN[5]O)(CC3)	111.6250	0.000	1	111.6250	0.000	1	110.0150	4.362	8	110.5025	4.478	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(CN[5]O)(CC3)	109.2783	1.910	3	108.7643	3.490	4	110.0150	4.362	8	110.5025	4.478	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	107.2220	0.000	1	108.7643	3.490	4	110.0150	4.362	8	110.5025	4.478	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]CH)(O[5]C[5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]CH)(O[5]C[5])(COO){1|O<2>,3|H<1>}	O(CN[5]O)(CC3)	112.2060	0.799	2	111.1460	3.690	3	110.0150	4.362	8	110.5025	4.478	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]CH)(O[5]C[5])(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]CH)(O[5]C[5])(COO){4|H<1>}	O(CN[5]O)(CC3)	109.0260	0.000	1	111.1460	3.690	3	110.0150	4.362	8	110.5025	4.478	10	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:2:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:O[5]-2:C-3:	C-4:C-3:	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]O[5])(OC)(O)	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	3:3:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5,6]C[5])(OC[6a])(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO)	O(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5,6]C[5])(OC[6a])(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(COO){1|C<3>,2|C<4>,3|H<1>}	O(C[6a]C[6a]2)(CN[5]O)	111.6780	0.694	2	111.6780	0.482	2	111.6780	0.482	2	111.6780	0.482	2	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C-3:C-4:	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	O(CN[5]O)(CH3)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	O(CN[5]O)(CH3)	110.5010	0.000	1	110.5010	0.000	1	110.5010	0.000	1	110.3249	7.183	7	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(COO){1|N<3>,2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	113.3510	0.000	1	113.3510	0.000	1	113.3510	0.000	1	110.3249	7.183	7	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]CH)(N[5]C[5]C)(COO){2|C<4>}	O(CN[5]O)(CCHH)	112.6610	0.000	1	112.6610	0.000	1	109.6844	7.965	5	110.3249	7.183	7	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)	O(CN[5]O)(CCCH)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO){1|H<1>,3|C<3>}	O(CN[5]O)(CCCH)	107.6267	0.196	3	107.6267	0.039	3	109.6844	7.965	5	110.3249	7.183	7	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(COO){3|C<3>}	O(CN[5]O)(CC3)	112.8810	0.000	1	112.8810	0.000	1	109.6844	7.965	5	110.3249	7.183	7	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]C)(COO){4|H<1>}	O(CC[6a]HH)(CN[5]O)	111.1140	0.099	2	111.1140	0.010	2	111.2537	0.063	3	111.2537	0.063	3	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:3:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:N[5]-3:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]N[5])(OC)(O)	N[5](C[5]C[5]HH)(N[5]C[5]S)(COO){1|C<3>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	111.5330	0.000	1	111.5330	0.000	1	111.2537	0.063	3	111.2537	0.063	3	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[3,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[3,5]C[5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	O(CN[5]O)(CC3)	110.3070	0.000	1	110.3070	0.000	1	110.3070	0.000	1	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[4,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[4,5]C[5])(OC)(O)	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	O(CN[5]O)(CC3)	112.6410	0.641	3	112.6410	0.411	3	112.6410	0.411	3	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(CN[5]O)(CC3)	110.6810	0.000	1	110.6810	0.000	1	110.4125	0.144	2	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,5]C[5])(OC)(O)	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	O(CN[5]O)(CC3)	110.1440	0.000	1	110.1440	0.000	1	110.4125	0.144	2	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(CN[5]O)(CC3)	110.3130	0.000	1	110.3175	0.000	2	110.3175	0.000	2	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5,6]C[5])(OC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	O(CN[5]O)(CC3)	110.3220	0.000	1	110.3175	0.000	2	110.3175	0.000	2	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	O(CN[5]O)(CCHH)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(CN[5]O)(CCHH)	111.0520	0.000	1	111.0520	0.000	1	110.4104	1.678	10	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	O(CN[5]O)(CC3)	110.3750	0.000	1	110.3750	0.000	1	110.4104	1.678	10	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	O(CN[5]O)(CC3)	111.0528	1.230	5	111.0528	1.514	5	110.4104	1.678	10	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	O(CN[5]O)(CC3)	108.9580	0.000	1	108.9580	0.000	1	110.4104	1.678	10	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO){4|H<1>}	O(CN[5]O)(CC3)	108.3160	0.000	1	108.3160	0.000	1	110.4104	1.678	10	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	3:4:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	O(CN[5]O)(CC3)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	O(CN[5]O)(CC3)	110.1390	0.000	1	110.1390	0.000	1	110.4104	1.678	10	110.7663	1.691	18	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO){1|C<4>,1|O<1>}	O(CC[6a]HH)(CN[5]O)	109.0980	0.000	1	109.0980	0.000	1	109.4360	0.228	2	109.4360	0.228	2	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:2:1:	4:4:3:	4:3:	N[5]-3:O-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	O(CC[6a]HH)(CN[5]O)	C(N[5]C[5]2)(OC)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){3|C<3>,3|H<1>}	O(CC[6a]HH)(CN[5]O)	109.7740	0.000	1	109.7740	0.000	1	109.4360	0.228	2	109.4360	0.228	2	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:3:2:	4:3:3:	3:3:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:C-3:	C(N[5]C[5]2)(CC[6a]I)(OC)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	O(CN[5]C)(CCO)	C(N[5]C[5]2)(CC[6a]I)(OC)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	O(CN[5]C)(CCO)	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	110.5990	2.707	67	110.5022	2.386	84
930	542	893	0:SP2_SP2_SP3	C	N[5]	O	3:3:2:	4:3:3:	3:4:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:Si-4:	C(N[5]C[5]2)(CCC)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	O(CN[5]C)(SiC3)	C(N[5]C[5]2)(CCC)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	O(CN[5]C)(SiC3)	113.4000	0.000	1	113.4000	0.000	1	113.4000	0.000	1	113.4000	0.000	1	110.5990	2.707	67	110.5022	2.386	84
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	3:2:3:	3:4:	N[5]-3:S-2:S-1:	C[5]-3:N[5]-2:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CSS)	S(CN[5]S)(CH3)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CSS){1|C<4>,1|N<2>}	S(CN[5]S)(CH3)	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	111.2740	0.000	1	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	3:2:3:	4:3:	N[5]-3:S-2:S-1:	C[5]-3:N[5]-2:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CSS)	S(CC[6a]HH)(CN[5]S)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CSS){1|C<4>,1|N<2>}	S(CC[6a]HH)(CN[5]S)	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:2:3:	4:3:	N[5]-3:S-2:S-1:	C[5]-4:N[5]-2:C-3:	C-4:C-3:	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS)	S(CC[6a]HH)(CN[5]S)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	S(CC[6a]HH)(CN[5]S)	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:3:3:	3:3:	N[5]-3:S-2:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(SC[6a])(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COS)	S(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5]2)(SC[6a])(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(COS){1|S<4>,2|H<1>}	S(C[6a]C[6a]2)(CN[5]O)	115.8700	0.559	3	115.8700	0.312	3	115.8700	0.312	3	115.8700	0.312	3	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:3:3:	3:4:	N[5]-3:S-2:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)(SC)(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(COS)	S(CN[5]O)(CCHH)	C(N[5]C[5]2)(SC)(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(COS){2|H<1>}	S(CN[5]O)(CCHH)	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:2:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:S-2:	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)(SC)	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS){3|H<1>}	S(CN[5]S)(SC)	110.8790	0.226	2	110.8167	0.152	4	110.8167	0.152	4	110.8167	0.152	4	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:2:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:S-2:	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)(SC)	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CN[5]S)(SC)	110.7545	0.624	2	110.8167	0.152	4	110.8167	0.152	4	110.8167	0.152	4	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:4:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS)	S(CN[5]S)(CCHH)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS){4|H<1>}	S(CN[5]S)(CCHH)	111.3110	0.000	1	111.3110	0.000	1	112.2643	0.312	6	112.2643	0.312	6	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:4:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)(CCCH)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CN[5]S)(CCCH)	111.8850	0.000	1	111.8850	0.000	1	112.2643	0.312	6	112.2643	0.312	6	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:4:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)(CCHH)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CN[5]S)(CCHH)	112.5975	0.143	4	112.5975	0.020	4	112.2643	0.312	6	112.2643	0.312	6	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	4:3:	N[5]-3:S-2:O-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(SC)(O)	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COS)	S(CC[5]CH)(CN[5]O)	C(N[5]C[5]2)(SC)(O)	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COS){2|H<1>}	S(CC[5]CH)(CN[5]O)	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	113.0395	7.578	4	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	4:3:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CC[6a]HH)(CN[5]S)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CC[6a]HH)(CN[5]S)	111.6300	0.023	2	111.6300	0.001	2	111.6633	0.004	3	113.0395	7.578	4	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:1:	4:4:3:	4:3:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-4:C-3:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[6a]HH)(CN[5]S)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CN[6a]HH)(CN[5]S)	111.7300	0.000	1	111.7300	0.000	1	111.6633	0.004	3	113.0395	7.578	4	113.0396	5.909	23	113.0396	5.909	23
930	542	909	0:SP2_SP2_SP2	C	N[5]	S	3:2:2:	3:3:3:	3:4:	N[5]-3:S-2:S-2:	N[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(SCu)(SC)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CSS)	S(CN[5]S)(CH3)	C(N[5]C[5]N[5])(SCu)(SC)	N[5](N[5]C[5]Cu)(C[5]C[5]C)(CSS){1|C<4>,1|H<1>}	S(CN[5]S)(CH3)	115.9500	0.137	2	115.9500	0.019	2	115.9500	0.019	2	115.9500	0.019	2	113.0396	5.909	23	113.0396	5.909	23
930	542	924	0:SP2_SP-NON_SP3	C	N[5]	Br	3:3:1:	4:3:3:	3:	N[5]-3:C-3:Br-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]C)(Br)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CBrC)	Br(CN[5]C)	C(N[5]C[5]2)(CC[6a]C)(Br)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CBrC){2|H<1>}	Br(CN[5]C)	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:2:3:	4:3:3:	3:3:4:	N[5]-3:N-2:C-3:	C[5]-4:C[5]-3:C-3:	C-3:C-3:Si-4:	C(N[5]C[5]2)(NC[6a])(CSiC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCN)	C(CC[6a]H)(CN[5]N)(SiC3)	C(N[5]C[5]2)(NC[6a])(CSiC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCN){2|H<1>}	C(CC[6a]H)(CN[5]N)(SiC3)	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:2:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C(CC[6a]H)(CN[5]O)(H)	114.6550	0.000	1	114.6550	0.000	1	114.8843	0.049	3	114.8843	0.049	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:2:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C(CN[5]O)(CCO)(H)	114.9990	0.137	2	114.9990	0.019	2	114.8843	0.049	3	114.8843	0.049	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCH){1|Co<6>,1|H<1>}	C(CN[5]H)(H)2	122.8740	0.931	4	122.8740	0.867	4	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|C<4>,1|H<1>}	C(CN[5]H)(H)2	117.3689	3.706	7	120.4248	19.948	17	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Co<6>,1|H<1>}	C(CN[5]H)(H)2	124.3250	0.000	1	120.4248	19.948	17	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Cu<6>,1|H<1>}	C(CN[5]H)(H)2	119.5855	1.061	2	120.4248	19.948	17	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Fe<6>,1|H<1>}	C(CN[5]H)(H)2	125.0800	1.925	2	120.4248	19.948	17	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Ni<6>,1|H<1>}	C(CN[5]H)(H)2	121.9125	5.243	4	120.4248	19.948	17	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){2|H<1>}	C(CN[5]H)(H)2	124.3340	0.000	1	120.4248	19.948	17	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){1|C<4>,1|H<1>}	C(CN[5]H)(H)2	125.0165	0.103	2	124.7753	0.180	3	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){2|H<1>}	C(CN[5]H)(H)2	124.2930	0.000	1	124.7753	0.180	3	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH){1|C<4>,3|C<3>}	C(CN[5]H)(H)2	117.0240	0.000	1	117.0240	0.000	1	121.2027	16.639	25	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:1:1:	N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(CHH)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]N[5])(CHH)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCH){1|C<3>,1|H<1>}	C(CN[5]H)(H)2	127.2510	0.000	1	127.2510	0.000	1	127.2510	0.000	1	121.4353	17.381	26	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:2:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:C-2:Br-1:	C(N[5]C[5]2)(CBrC)(H)	N[5](C[5]C[5]O)2(CCH)	C(CN[5]H)(CN)(Br)	C(N[5]C[5]2)(CBrC)(H)	N[5](C[5]C[5]O)2(CCH){4|H<1>}	C(CN[5]H)(CN)(Br)	126.3190	0.000	1	126.3190	0.000	1	126.3190	0.000	1	126.3190	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	N[5]-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	122.5704	73.155	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]O)2(CCH)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]O)2(CCH){1|C<3>,2|H<1>}	C(CN[5]H)(COO)(H)	127.0530	0.000	1	127.0530	0.000	1	127.0530	0.000	1	122.5704	73.155	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH)	C(CN[5]H)(CCC)(H)	C(N[5]C[5]N[5])(CCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH){4|H<1>}	C(CN[5]H)(CCC)(H)	129.2975	0.667	2	129.2975	0.445	2	129.2975	0.445	2	122.5704	73.155	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:O-1:	N[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(O)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]N[5])(CCH)(O)	N[5](N[5]C[5]Re)(C[5]C[5]H)(CCO){1|C<3>,1|H<1>}	C(CC[6a]H)(CN[5]O)(H)	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	122.5704	73.155	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C[5a]-3:C-3:C-3:	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	129.7590	0.000	1	129.7590	0.000	1	129.7590	0.000	1	127.7775	7.853	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:3:3:	N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C[6a]-3:N-3:C-3:	C(N[5]C[5]N[5])(CC[6a]N)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCH)	C(C[6a]C[6a]2)(NC[6a]Al)(CN[5]H)	C(N[5]C[5]N[5])(CC[6a]N)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]Al)(CN[5]H)	125.7960	0.000	1	125.7960	0.000	1	125.7960	0.000	1	127.7775	7.853	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:4:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C(CN[5]H)(CHHO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C(CN[5]H)(CHHO)(H)	124.3090	0.000	1	124.3090	0.000	1	124.3090	0.000	1	123.6220	0.944	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	3:4:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCH)	C(CN[5]H)(CCCH)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCH){2|C<3>}	C(CN[5]H)(CCCH)(H)	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	123.6220	0.944	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:3:3:	4:3:4:	N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	N-4:C-3:C-4:	C(N[5]C[5]N[5])(CCN)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CCH)	C(NLi2Si)(CN[5]H)(CC3)	C(N[5]C[5]N[5])(CCN)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>}	C(NLi2Si)(CN[5]H)(CC3)	124.5680	0.000	1	124.5680	0.000	1	124.5680	0.000	1	124.5680	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:2:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:O-2:O-1:	C(N[5]C[5,6a]C[5])(COO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	C(CN[5]O)(OC)(O)	C(N[5]C[5,6a]C[5])(COO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	C(CN[5]O)(OC)(O)	118.1900	0.000	1	118.1900	0.000	1	118.1900	0.000	1	118.1900	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5,5])(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	C(CN[5]H)(COO)(H)	126.9952	0.708	4	126.9952	0.501	4	126.9952	0.501	4	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C(CN[5]H)(COO)(H)	125.3225	1.501	2	125.3225	2.254	2	125.3225	2.254	2	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:Br-1:	C(N[5]C[5,6a]C[5])(CBrC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CCH)(Br)	C(N[5]C[5,6a]C[5])(CBrC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CCH)(Br)	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CCC)(H)	116.9680	0.148	2	116.9680	0.022	2	117.6440	2.067	4	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CCO)(H)	116.8450	0.000	1	116.8450	0.000	1	117.6440	2.067	4	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C(CC[6a]H)(CN[5]O)(H)	119.7950	0.000	1	119.7950	0.000	1	117.6440	2.067	4	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:N-3:O-1:	C(N[5]C[5,6a]C[5])(CNO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C(CN[5]O)(NCC)(O)	C(N[5]C[5,6a]C[5])(CNO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C(CN[5]O)(NCC)(O)	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	121.6722	27.113	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:3:2:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:C-2:	C(N[5]C[5,6a]C[5])(CCC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C(CN[5]O)(CCC)(CN)	C(N[5]C[5,6a]C[5])(CCC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CCC)(CN)	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	3:4:3:	3:4:3:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-4:C-3:	C(N[5]C[5,6a]C[5])(CCC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CF3)(CCH)	C(N[5]C[5,6a]C[5])(CCC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CF3)(CCH)	115.2895	0.046	2	115.2895	0.002	2	115.2895	0.002	2	115.2895	0.002	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:2:3:	3:1:1:	N[5]-3:C-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(CHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO)	C(CN[5]O)(H)2	C(N[5]C[5]N[5])(CHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C(CN[5]O)(H)2	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	117.1550	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:2:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C(CN[5]O)(CCH)(H)	117.0615	0.250	2	117.0615	0.062	2	116.7047	0.413	3	116.7047	0.413	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:2:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO)	C(CN[5]O)(CBrC)(H)	C(N[5]C[5]N[5])(CCH)(O)	N[5](C[5]N[5,6]CH)(N[5]C[5,6])(CCO){2|C<3>}	C(CN[5]O)(CBrC)(H)	115.9910	0.000	1	115.9910	0.000	1	116.7047	0.413	3	116.7047	0.413	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	C(CN[5]H)(H)2	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){4|H<1>}	C(CN[5]H)(H)2	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:F-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(F)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCF)	C(C[6a]C[6a]2)(CN[5]F)(H)	C(N[5]C[5]2)(CC[6a]H)(F)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCF){2|H<1>}	C(C[6a]C[6a]2)(CN[5]F)(H)	125.8310	0.000	1	125.8310	0.000	1	125.8310	0.000	1	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){4|H<1>}	C(CN[5]H)(COO)(H)	126.6675	0.527	4	126.6675	0.277	4	126.0954	0.753	7	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH){3|H<1>}	C(CN[5]H)(COO)(H)	125.5870	0.492	2	125.5870	0.242	2	126.0954	0.753	7	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	C(CN[5]H)(CCH)(H)	124.8240	0.000	1	124.8240	0.000	1	126.0954	0.753	7	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[5]H)(H)	127.0360	2.041	2	127.0360	4.164	2	126.7943	2.257	3	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]N[5,6a]CO)(C[5]C[5,6a]O)(CCH)	C(C[6a]C[6a]2)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]N[5,6a]CO)(C[5]C[5,6a]O)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CN[5]H)(H)	126.3110	0.000	1	126.3110	0.000	1	126.7943	2.257	3	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO){1|C<3>,1|N<2>}	C(CN[5]O)(CCH)(H)	119.1500	0.000	1	119.1500	0.000	1	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<4>}	C(CN[5]O)(CCH)(H)	118.3980	0.010	2	118.0978	0.121	4	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CCH)(H)	117.7975	0.056	2	118.0978	0.121	4	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CCH)(H)	120.0060	0.000	1	120.0060	0.000	1	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C(CN[5]O)(CCH)(H)	118.0270	0.000	1	118.0270	0.000	1	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(CC[5a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|C<4>}	C(CC[5a]H)(CN[5]O)(H)	117.7800	0.000	1	117.7800	0.000	1	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|C<4>}	C(CC[6a]H)(CN[5]O)(H)	118.2400	0.000	1	118.2400	0.000	1	118.3993	0.553	9	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:N-3:O-1:	C(N[5]C[5]2)(CNO)(O)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CCO)	C(CN[5]O)(NCC)(O)	C(N[5]C[5]2)(CNO)(O)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CCO){1|C<4>,2|H<1>}	C(CN[5]O)(NCC)(O)	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:O-1:	C(N[5]C[5]2)(CC[6a]O)(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO)	C(C[6a]C[6a]2)(CN[5]O)(O)	C(N[5]C[5]2)(CC[6a]O)(O)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCO){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CN[5]O)(O)	116.8790	0.298	2	116.8790	0.089	2	116.8790	0.089	2	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	S[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]S[5])(CCH)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]S[5])(CCH)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCO){2|C<3>}	C(CC[6a]H)(CN[5]O)(H)	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	121.8547	17.979	24	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:2:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:S-2:	C(N[5]C[5]2)(CCS)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(CC[6a]C)(CN[5]O)(SC[6a])	C(N[5]C[5]2)(CCS)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C(CC[6a]C)(CN[5]O)(SC[6a])	118.2080	0.000	1	118.2080	0.000	1	118.2080	0.000	1	118.2080	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5a]-3:C-3:C-3:	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH){1|C<4>,1|O<1>}	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	127.4950	0.000	1	127.4950	0.000	1	127.4950	0.000	1	128.5320	2.151	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:3:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5]C[5]2)(CC[6a]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)2(CN[5]H)	C(N[5]C[5]2)(CC[6a]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	C(C[6a]C[6a]2)2(CN[5]H)	129.5690	0.000	1	129.5690	0.000	1	129.5690	0.000	1	128.5320	2.151	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:1:	N[5]-3:C-3:H-1:	C[3x5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[3x5]C[5])(CCH)(H)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH)	C(CN[5]H)(CCHH)(H)	C(N[5]C[3x5]C[5])(CCH)(H)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH){6|C<3>}	C(CN[5]H)(CCHH)(H)	110.2480	0.000	1	110.2480	0.000	1	110.2480	0.000	1	122.0289	27.087	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	C(CN[5]H)(CCHH)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	C(CN[5]H)(CCHH)(H)	123.9982	0.388	5	123.9982	0.151	5	123.9923	0.121	6	122.0289	27.087	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	C(CN[5]H)(CHHN)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	C(CN[5]H)(CHHN)(H)	123.9630	0.000	1	123.9630	0.000	1	123.9923	0.121	6	122.0289	27.087	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	121.0060	17.495	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:Ge-4:C-3:	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	128.2740	0.000	1	128.2740	0.000	1	128.2740	0.000	1	121.0060	17.495	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:C-3:	C(N[5]C[5]2)(CCC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CH3)(CCH)	118.7075	1.652	4	118.7075	2.731	4	118.7122	2.048	5	121.0060	17.495	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:C-3:	C(N[5]C[5]2)(CCC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CH3)(CCH)	118.7310	0.000	1	118.7310	0.000	1	118.7122	2.048	5	121.0060	17.495	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	3:4:4:	N[5]-3:C-3:I-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:C-4:	C(N[5]C[5]2)(CCC)(I)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCI)	C(CN[5]I)(CCHH)2	C(N[5]C[5]2)(CCC)(I)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCI){2|H<1>}	C(CN[5]I)(CCHH)2	123.8255	0.326	2	123.8255	0.106	2	123.8255	0.106	2	123.8255	0.106	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	C(CC[5a]HH)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	C(CC[5a]HH)(CN[5]H)(H)	123.7820	0.000	1	123.7820	0.000	1	123.7820	0.000	1	123.7820	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:3:3:	4:3:4:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	Ge-4:C-3:C-4:	C(N[5]C[5]2)(CGeC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCH)	C(GeC[6a]3)(CN[5]H)(CF3)	C(N[5]C[5]2)(CGeC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCH){2|H<1>}	C(GeC[6a]3)(CN[5]H)(CF3)	127.0290	0.714	2	127.0290	0.510	2	127.0290	0.510	2	127.0290	0.510	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]HH)2(CCH)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]HH)2(CCH){2|C<3>}	C(CN[5]H)(CCH)(H)	125.6080	0.000	1	125.6080	0.000	1	126.0094	2.398	9	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C(CC[6a]H)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C(CC[6a]H)(CN[5]H)(H)	124.2440	0.028	2	124.2440	0.001	2	126.0094	2.398	9	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C(CN[5]H)(COO)(H)	127.2790	0.000	1	127.2790	0.000	1	126.0094	2.398	9	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH)	C(CC[6a]H)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH){1|C<4>,1|O<1>}	C(CC[6a]H)(CN[5]H)(H)	126.0680	0.000	1	126.0680	0.000	1	126.0094	2.398	9	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)2(CCH)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	C(CN[5]H)(CCH)(H)	125.1240	0.049	2	125.1240	0.002	2	126.0094	2.398	9	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH)	C(CC[6a]H)(CN[5]H)(H)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH){1|C<4>,1|O<1>,2|C<3>}	C(CC[6a]H)(CN[5]H)(H)	128.1970	0.190	2	128.1970	0.036	2	126.0094	2.398	9	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C(C[6a]C[6a]2)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C(C[6a]C[6a]2)(CN[5]H)(H)	126.3240	0.000	1	126.3240	0.000	1	127.2887	0.806	3	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]HH)2(CCH)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	128.1000	0.000	1	128.1000	0.000	1	127.2887	0.806	3	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH)	C(C[6a]C[6a]2)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH){4|H<1>}	C(C[6a]C[6a]2)(CN[5]H)(H)	127.4420	0.000	1	127.4420	0.000	1	127.2887	0.806	3	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,5]-4:S[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,5]S[5])(CCH)(O)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5,5]S[5])(CCH)(O)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO){1|C<4>,2|C<3>,3|H<1>}	C(CN[5]O)(CCH)(H)	117.3950	0.807	4	117.3950	0.652	4	117.4800	0.525	5	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,5]-4:S[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,5]S[5])(CCH)(O)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5,5]S[5])(CCH)(O)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO){1|H<1>,2|C<3>,2|C<4>}	C(CN[5]O)(CCH)(H)	117.8200	0.000	1	117.8200	0.000	1	117.4800	0.525	5	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6]2)(CCH)(O)	N[5](C[5,6]C[5,6]C[6]H)2(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]2)(CCH)(O)	N[5](C[5,6]C[5,6]C[6]H)2(CCO){4|O<2>,6|H<1>}	C(CC[6a]H)(CN[5]O)(H)	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(CC[6a]H)(CN[5]O)(H)	117.5720	0.000	1	117.5230	0.005	2	117.5230	0.005	2	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|O<2>,2|C<3>,4|H<1>}	C(CC[6a]H)(CN[5]O)(H)	117.4740	0.000	1	117.5230	0.005	2	117.5230	0.005	2	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C(CC[6a]H)(CN[5]O)(H)	116.6055	0.336	2	116.6055	0.113	2	116.7732	0.163	6	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO){4|H<1>}	C(CC[6a]H)(CN[5]O)(H)	117.3830	0.000	1	117.3830	0.000	1	116.7732	0.163	6	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)2(CCO){2|C<4>}	C(CC[6a]H)(CN[5]O)(H)	116.2810	0.000	1	116.2810	0.000	1	116.7732	0.163	6	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C(CN[5]O)(CCH)(H)	116.9500	0.000	1	116.9500	0.000	1	116.7732	0.163	6	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)2(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	N[5](C[5]C[6a]C[5]H)2(CCO){4|C<3>,4|H<1>}	C(CN[5]O)(CCH)(H)	116.8140	0.000	1	116.8140	0.000	1	116.7732	0.163	6	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:Se-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(Se)	N[5](C[5]C[5]HH)2(CSeC)	C(CN[5]Se)(CCH)(H)	C(N[5]C[5]2)(CCH)(Se)	N[5](C[5]C[5]HH)2(CSeC){4|H<1>}	C(CN[5]Se)(CCH)(H)	117.4175	0.885	2	117.4175	0.783	2	117.4175	0.783	2	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:Se-1:	C[5]-4:C[5]-4:C-3:	C[5a]-3:C-3:O-1:	C(N[5]C[5]2)(CC[5a]O)(Se)	N[5](C[5]C[5]HH)2(CSeC)	C(C[5a]C[5a]S[5a])(CN[5]Se)(O)	C(N[5]C[5]2)(CC[5a]O)(Se)	N[5](C[5]C[5]HH)2(CSeC){4|H<1>}	C(C[5a]C[5a]S[5a])(CN[5]Se)(O)	117.0910	0.000	1	117.0910	0.000	1	117.0910	0.000	1	120.9440	22.293	29	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	128.2410	0.450	3	128.2410	0.203	3	128.2410	0.203	3	122.7280	37.426	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:3:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:N-3:	C(N[5]C[5]2)(CCN)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C(CN[5]O)(CHN)(NCH)	C(N[5]C[5]2)(CCN)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C(CN[5]O)(CHN)(NCH)	118.0630	0.225	2	118.0630	0.051	2	117.2150	2.183	3	122.7280	37.426	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:3:3:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:N-3:	C(N[5]C[5]2)(CCN)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CC[6a]C)(CN[5]O)(NCH)	C(N[5]C[5]2)(CCN)(O)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C(CC[6a]C)(CN[5]O)(NCH)	115.5190	0.000	1	115.5190	0.000	1	117.2150	2.183	3	122.7280	37.426	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:4:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:O-1:	C(N[5]C[5]2)(CCO)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CN[5]O)(CCCO)(O)	C(N[5]C[5]2)(CCO)(O)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C(CN[5]O)(CCCO)(O)	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:4:2:	N[5]-3:C-3:O-1:	C[5,5,6]-4:S[5]-4:C-3:	C-3:C-4:N-2:	C(N[5]C[5,5,6]S[5])(CCN)(O)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(CN[5]O)(CH3)(NN)	C(N[5]C[5,5,6]S[5])(CCN)(O)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(CN[5]O)(CH3)(NN)	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	3:4:3:	N[5]-3:C-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:C-3:	C(N[5]C[5,6]C[5])(CCC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C(CN[5]O)(CH3)(CCC)	C(N[5]C[5,6]C[5])(CCC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	C(CN[5]O)(CH3)(CCC)	124.2490	0.000	1	124.2490	0.000	1	124.2490	0.000	1	124.2490	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:1:	4:4:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(CC[6]H)(H)	N[5](C[5]C[5]HH)2(CCH)	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C(N[5]C[5]2)(CC[6]H)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	127.2570	0.000	1	127.2570	0.000	1	127.2570	0.000	1	127.2570	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	3:2:3:	3:3:1:	N[5]-3:C-3:C-2:	C[5]-3:C[5]-2:C-3:	C-3:N-3:O-1:	C(N[5]C[5]2)(CNO)(CC)	N[5](C[5]C[5]O)(C[5]C[5])(CCC)	C(CN[5]C)(NHH)(O)	C(N[5]C[5]2)(CNO)(CC)	N[5](C[5]C[5]O)(C[5]C[5])(CCC){1|C<2>}	C(CN[5]C)(NHH)(O)	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	109.0310	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C-3:O-2:	C[5]-3:C[5]-3:C-3:	C-3:N-3:H-1:	C(N[5]C[5]2)(CHN)(OC)	N[5](C[5]C[5,6a]O)2(CCO)	C(CN[5]O)(NCS)(H)	C(N[5]C[5]2)(CHN)(OC)	N[5](C[5]C[5,6a]O)2(CCO){2|C<3>}	C(CN[5]O)(NCS)(H)	122.6055	7.765	2	122.6055	60.291	2	122.6055	60.291	2	122.6055	60.291	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	3:4:3:	3:3:1:	N[5]-3:C-3:N-2:	C[5,6a]-3:C[5]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C(C[6a]C[6a]2)(CN[5]N)(O)	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CN[5]N)(O)	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	115.6505	3.048	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	3:4:3:	3:3:1:	N[5]-3:C-3:O-2:	C[5,6]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6]C[5])(CCH)(OCu)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(OCu)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CCO){1|Cu<4>,2|C<3>,2|H<1>}	C(CC[6a]H)(CN[5]O)(H)	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	115.6505	3.048	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:3:1:	N[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(CC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(H)	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	123.1342	4.309	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:3:1:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|C<3>}	C(CN[5]O)(CCH)(H)	122.2525	1.811	2	122.0943	1.137	4	122.0943	1.137	4	123.1342	4.309	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:3:1:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CCH)(H)	121.9360	0.180	2	122.0943	1.137	4	122.0943	1.137	4	123.1342	4.309	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:3:1:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(CC[6a]H)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C(C[6a]C[6a]2)(CN[5]O)(H)	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	123.1342	4.309	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:4:3:	N[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:Ge-4:C-3:	C(N[5]C[5]2)(CC[6a]Ge)(CC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	C(N[5]C[5]2)(CC[6a]Ge)(CC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCC){2|H<1>}	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	121.4770	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:2:	4:3:3:	4:3:1:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-4:C-3:H-1:	C(N[5]C[5]2)(CCH)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(CC[5a]CH)(CN[5]O)(H)	C(N[5]C[5]2)(CCH)(OC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C(CC[5a]CH)(CN[5]O)(H)	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:2:3:	3:4:1:	N[5]-3:N-3:C-3:	C[5]-3:O[5]-2:C-3:	C-3:C-4:H-1:	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C(CN[5]N)(CCHH)(H)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C(CN[5]N)(CCHH)(H)	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	123.5160	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:Br-1:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrH)	N[5](C[5]C[5,6a]O)2(CC[6a]C)	C(CC[6a]N[5])(Br)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrH)	N[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	C(CC[6a]N[5])(Br)(H)	121.6430	0.665	2	121.6430	0.442	2	121.6430	0.442	2	122.0170	0.641	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:1:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(H)2	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(H)2	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	122.0170	0.641	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCC)(COO)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCC)(COO)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<4>,1|H<1>}	C(CN[5]C)(OC)(O)	117.2850	0.000	1	117.2850	0.000	1	115.6718	5.250	4	115.6718	5.250	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(OC)(O)	113.5700	0.000	1	113.5700	0.000	1	115.6718	5.250	4	115.6718	5.250	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(OC)(O)	117.9910	0.000	1	117.9910	0.000	1	115.6718	5.250	4	115.6718	5.250	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(OC)(O)	113.8410	0.000	1	113.8410	0.000	1	115.6718	5.250	4	115.6718	5.250	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	N[5](C[5]C[5,6a]O)2(CC[6a]C)	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	N[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	C(CC[6a]N[5])(COO)(H)	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	119.0944	5.791	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CPdC)(CCH)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdC)(CCH)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC){1|C<3>,1|H<1>}	C(CN[5]C)(CCH)(H)	117.3360	0.163	2	117.3360	0.026	2	117.3360	0.026	2	119.0944	5.791	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C-3:N-3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:I-1:	C(N[5]C[5]2)(CC[6a]I)(NCS)	N[5](C[5]C[5]O)2(CCN)	C(C[6a]C[6a]2)(CN[5]N)(I)	C(N[5]C[5]2)(CC[6a]I)(NCS)	N[5](C[5]C[5]O)2(CCN){4|H<1>}	C(C[6a]C[6a]2)(CN[5]N)(I)	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	119.0944	5.791	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	N[6a]-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	119.0944	5.791	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:C-3:	C(N[5]C[5]2)(CCC)(COO)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C(CN[5]C)(COO)2	C(N[5]C[5]2)(CCC)(COO)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<4>,1|H<1>}	C(CN[5]C)(COO)2	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	121.7283	3.104	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:N-3:	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(C[6a]C[6a]2)(CN[5]C)(NHH)	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	121.7283	3.104	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:N[5]-3:C-3:	N[5]-3:C[5]-3:C-3:	C-3:N-3:N-3:	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNN)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]C)	C(CN[5a]N[5])(NAlC)(NCH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNN)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CN[5a]C){1|C<4>,1|H<1>}	C(CN[5a]N[5])(NAlC)(NCH)	123.1740	0.255	2	123.1740	0.065	2	123.1740	0.065	2	121.7283	3.104	4	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:N-3:C-4:	C(N[5]C[5]2)(CCN)2	N[5](C[5]C[5]O)2(CCC)	C(CN[5]C)(NCuC)(CH3)	C(N[5]C[5]2)(CCN)2	N[5](C[5]C[5]O)2(CCC){4|H<1>}	C(CN[5]C)(NCuC)(CH3)	114.9375	0.841	2	114.9375	0.707	2	114.9375	0.707	2	114.9375	0.707	2	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:4:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(CCHH)(H)	122.9560	0.000	1	122.9560	0.000	1	122.9560	0.000	1	122.9560	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:4:2:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-4:N-2:	C(N[5]C[5]2)(CCN)2	N[5](C[5]C[5]O)2(CCC)	C(CN[5]C)(CH3)(NC)	C(N[5]C[5]2)(CCN)2	N[5](C[5]C[5]O)2(CCC){4|H<1>}	C(CN[5]C)(CH3)(NC)	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	116.1070	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:3:3:	3:4:3:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-4:N-3:	C(N[5]C[5]2)(CCN)2	N[5](C[5]C[5]O)2(CCC)	C(CN[5]C)(CH3)(NCH)	C(N[5]C[5]2)(CCN)2	N[5](C[5]C[5]O)2(CCC){4|H<1>}	C(CN[5]C)(CH3)(NCH)	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	3:4:3:	3:1:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-4:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHH)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C)	C(CC[6a]N[5])(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHH)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(CC[6a]N[5])(H)2	120.0740	0.000	1	120.0740	0.000	1	120.0740	0.000	1	120.0740	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:1:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC)	C(CN[5]C)(H)2	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC){1|C<4>,1|O<2>}	C(CN[5]C)(H)2	123.2803	0.462	3	123.2803	0.213	3	123.2803	0.213	3	121.9624	3.387	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:1:1:	N[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHH)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]C)	C(CC[6a]N[5])(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHH)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]C){1|Fe<10>,3|C<4>,6|H<1>}	C(CC[6a]N[5])(H)2	119.9855	0.310	2	119.9855	0.096	2	119.9855	0.096	2	121.9624	3.387	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC){1|C<4>,1|O<2>}	C(CN[5]C)(OC)(O)	114.6570	0.000	1	114.6570	0.000	1	116.0902	4.793	5	116.0902	4.793	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC){2|C<3>,2|H<1>}	C(CN[5]C)(OC)(O)	118.9600	0.000	1	118.9600	0.000	1	116.0902	4.793	5	116.0902	4.793	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CHH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC){1|C<4>,1|O<2>}	C(CN[5]C)(OC)(O)	115.6113	2.024	3	115.6113	4.097	3	116.0902	4.793	5	116.0902	4.793	5	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C)	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]C){4|H<1>}	C(CC[6a]N[5])(COO)(H)	120.7095	0.349	2	120.7095	0.122	2	120.7095	0.122	2	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]C){2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	120.8020	0.000	1	120.8020	0.000	1	120.8020	0.000	1	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCC){2|C<3>,2|H<1>}	C(CN[5]C)(CCH)(H)	123.0940	0.000	1	123.0940	0.000	1	119.0630	32.498	2	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(CCH)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCC)	C(CN[5]C)(CHH)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCC){2|H<1>}	C(CN[5]C)(CHH)(H)	115.0320	0.000	1	115.0320	0.000	1	119.0630	32.498	2	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(CCH)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(H)	119.6290	0.000	1	119.6290	0.000	1	121.0530	4.056	2	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(H)	122.4770	0.000	1	122.4770	0.000	1	121.0530	4.056	2	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:O-1:	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(O)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(O)	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]N[5])(CCH)(CCO)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(CCO)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC){1|O<1>,2|H<1>}	C(CN[5]C)(CCH)(H)	116.3590	0.000	1	116.3590	0.000	1	116.3590	0.000	1	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-3:	C-3:C-3:O-1:	C(N[5]C[5]N[5])(CCH)(CCO)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC)	C(CN[5]C)(CCH)(O)	C(N[5]C[5]N[5])(CCH)(CCO)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CCC){1|O<1>,2|H<1>}	C(CN[5]C)(CCH)(O)	118.2000	0.000	1	118.2000	0.000	1	118.2000	0.000	1	119.4909	6.736	10	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:3:3:	3:4:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC)	C(CN[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCC){1|C<4>,1|O<2>}	C(CN[5]C)(CCHH)(H)	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	121.9300	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){2|C<3>,2|H<1>}	C(CN[5]C)(OC)(O)	114.6300	1.048	4	114.6300	1.098	4	114.3842	1.195	6	114.3842	1.195	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC){2|C<3>,2|H<1>}	C(CN[5]C)(OC)(O)	114.8820	0.000	1	114.8820	0.000	1	114.3842	1.195	6	114.3842	1.195	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC){1|H<1>,3|C<3>}	C(CN[5]C)(OC)(O)	112.9030	0.000	1	112.9030	0.000	1	114.3842	1.195	6	114.3842	1.195	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	C[5a]-3:N[5]-3:C-3:	C[5]-4:C[5]-4:C-3:	C[5a]-3:C-3:Cl-1:	C(C[5a]N[5a]O[5a])(N[5]C[5]2)(CC[5a]Cl)	N[5](C[5]C[5]HH)2(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]N[5])(Cl)	C(C[5a]N[5a]O[5a])(N[5]C[5]2)(CC[5a]Cl)	N[5](C[5]C[5]HH)2(CC[5a]C){4|H<1>}	C(C[5a]N[5a]O[5a])(CC[5a]N[5])(Cl)	128.8460	0.000	1	128.8460	0.000	1	128.8460	0.000	1	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-4:C[5]-4:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)2(CC[6a]C)	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)2(CC[6a]C){4|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	121.1090	0.000	1	121.1090	0.000	1	120.5710	0.579	2	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-4:C[5]-4:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)2(CC[6a]C)	C(C[5a]N[5a,6]C[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	N[5](C[5]C[5]HH)2(CC[6a]C){4|H<1>}	C(C[5a]N[5a,6]C[5a])(CC[6a]N[5])(H)	120.0330	0.000	1	120.0330	0.000	1	120.5710	0.579	2	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){2|C<3>,2|H<1>}	C(CN[5]C)(COO)(H)	126.0992	0.319	4	126.0992	0.102	4	124.1790	15.510	8	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC){2|C<3>,2|H<1>}	C(CN[5]C)(COO)(H)	125.4930	0.000	1	125.4930	0.000	1	124.1790	15.510	8	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC){1|H<1>,3|C<3>}	C(CN[5]C)(COO)(H)	127.7520	0.000	1	127.7520	0.000	1	124.1790	15.510	8	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)2	N[5](C[5]C[5]HH)2(CCC)	C(CC[5]H)(CN[5]C)(H)	C(N[5]C[5]2)(CCH)2	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	C(CC[5]H)(CN[5]C)(H)	117.8950	0.216	2	117.8950	0.047	2	124.1790	15.510	8	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:O-1:	C(N[5]C[5]2)(CC[6a]O)(CCC)	N[5](C[5]C[5]HH)2(CCC)	C(C[6a]C[6a]2)(CN[5]C)(O)	C(N[5]C[5]2)(CC[6a]O)(CCC)	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(O)	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	123.0297	24.318	12	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:3:	4:4:3:	3:3:3:	N[5]-3:C-3:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:C-3:	C(N[5]C[5]2)(CC[6a]O)(CCC)	N[5](C[5]C[5]HH)2(CCC)	C(CC[6a]O)2(CN[5]C)	C(N[5]C[5]2)(CC[6a]O)(CCC)	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	C(CC[6a]O)2(CN[5]C)	126.6300	0.000	1	126.6300	0.000	1	126.6300	0.000	1	126.6300	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:4:	3:2:3:	3:3:1:	N[5]-3:C-3:C-4:	C[5]-3:N[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Co<6>,1|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(H)	117.1868	1.557	4	117.2668	1.614	6	117.2668	1.614	6	117.2668	1.614	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:4:	3:2:3:	3:3:1:	N[5]-3:C-3:C-4:	C[5]-3:N[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){1|Ni<6>,1|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(H)	117.4270	0.846	2	117.2668	1.614	6	117.2668	1.614	6	117.2668	1.614	6	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:4:	3:2:3:	3:3:2:	N[5]-3:C-3:C-4:	C[5]-3:N[5]-2:C-3:	C[6a]-3:C-3:O-2:	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	N[5](C[5]N[5]H)(N[5]C[5])(CCC)	C(C[6a]C[6a]2)(CN[5]C)(OC)	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	N[5](C[5]N[5]H)(N[5]C[5])(CCC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(OC)	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:3:4:	3:3:3:	3:3:2:	N[5]-3:C-3:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:O-2:	C(N[5]C[5]2)(CC[6a]O)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(OC)	C(N[5]C[5]2)(CC[6a]O)(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]C)(OC)	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	3:3:3:	3:3:1:	N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CH3)(CCH)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CH3)(CCH)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(COO)(H)	116.7980	0.000	1	116.7980	0.000	1	116.5139	0.501	7	116.5139	0.501	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	3:3:3:	3:3:1:	N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CPdCH)(CCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<3>,1|H<1>}	C(CN[5]C)(CCH)(H)	116.3350	0.801	3	116.2704	0.440	5	116.5139	0.501	7	116.5139	0.501	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	3:3:3:	3:3:1:	N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CPdCH)(CCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCC){1|C<4>,1|H<1>}	C(CN[5]C)(CCH)(H)	116.1735	0.668	2	116.2704	0.440	5	116.5139	0.501	7	116.5139	0.501	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	3:3:3:	3:3:1:	N[5]-3:C-4:C-3:	C[5]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CPdCH)(CCH)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	N[5](C[5]N[5]Pd)(C[5]C[5]H)(CCC){1|C<3>,1|H<1>}	C(CN[5]C)(CCH)(H)	117.4470	0.000	1	117.4470	0.000	1	116.5139	0.501	7	116.5139	0.501	7	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	3:4:3:	3:2:4:	N[5]-3:C-4:C-3:	C[5,6a]-3:Ga[5]-4:C-3:	C-3:N-2:C-4:	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	C(CN[5]C)(NC[6a])(CH3)	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	C(CN[5]C)(NC[6a])(CH3)	115.3720	0.000	1	115.3720	0.000	1	115.3720	0.000	1	115.3720	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	4:3:3:	3:3:1:	N[5]-3:Ge-4:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CGeC)	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CGeC){2|H<1>}	C(C[6a]C[6a]2)(CN[5]Ge)(H)	118.5843	3.650	3	118.5843	13.325	3	118.5843	13.325	3	118.5843	13.325	3	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	4:3:3:	3:4:3:	N[5]-3:C-4:C-3:	C[5]-4:C[5]-3:C-3:	C-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]CH)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCC)	C(CN[5]C)(CH3)(CCH)	C(N[5]C[5]2)(CC[6a]CH)(CCC)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCC){1|C<3>,2|H<1>}	C(CN[5]C)(CH3)(CCH)	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	4:4:3:	3:3:1:	N[5]-3:C-4:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(CN[5a]HH)(CCH)	N[5](C[5]C[5]HH)2(CCC)	C(CN[5]C)(CCO)(H)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	C(CN[5]C)(CCO)(H)	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP2	C	N[5]	C	3:4:3:	4:4:3:	3:3:3:	N[5]-3:C-4:C-3:	C[5]-4:C[5]-4:C-3:	C-3:C-3:C-3:	C(N[5]C[5]2)(CCHH)(CCC)	N[5](C[5]C[5]HH)2(CCC)	C(CN[5]C)(CCC)(COO)	C(N[5]C[5]2)(CCHH)(CCC)	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	C(CN[5]C)(CCC)(COO)	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	123.6310	0.000	1	120.6692	21.062	245	120.6692	21.062	245
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CBrC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CBrC)(H)	117.8695	0.363	2	117.8695	0.132	2	117.3783	0.371	4	117.3783	0.371	4	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CCC)(H)	116.9790	0.000	1	116.9790	0.000	1	117.3783	0.371	4	117.3783	0.371	4	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CN[5]O)(CCO)(H)	116.7950	0.000	1	116.7950	0.000	1	117.3783	0.371	4	117.3783	0.371	4	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:2:3:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:S-2:C-3:	C(N[5]C[5]2)(CCS)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(SC[6a])(CCH)	C(N[5]C[5]2)(CCS)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(SC[6a])(CCH)	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:Br-1:	C(N[5]C[5]2)(CBrC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO)	C(CC[6a]H)(CN[5]O)(Br)	C(N[5]C[5]2)(CBrC)(O)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCO){2|H<1>}	C(CC[6a]H)(CN[5]O)(Br)	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:3:4:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:Si-4:	C(N[5]C[5]2)(CC[6a]Si)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	C(N[5]C[5]2)(CC[6a]Si)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	127.4770	0.000	1	127.4770	0.000	1	127.4770	0.000	1	127.4770	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:Br-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]C)(Br)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CBrC)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Br)	C(N[5]C[5]2)(CC[6a]C)(Br)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CBrC){2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Br)	127.3550	0.000	1	127.3550	0.000	1	127.3550	0.000	1	122.9634	22.840	7	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:Cl-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]C)(Cl)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CClC)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Cl)	C(N[5]C[5]2)(CC[6a]C)(Cl)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CClC){2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Cl)	127.3970	0.000	1	127.3970	0.000	1	127.3970	0.000	1	122.9634	22.840	7	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-4:C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	124.2280	0.000	1	124.2280	0.000	1	124.2280	0.000	1	122.9634	22.840	7	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:Ge-4:C-3:	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	127.4530	0.000	1	127.4530	0.000	1	127.4530	0.000	1	122.9634	22.840	7	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:C-3:	C(N[5]C[5]2)(CCC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CH3)(CCH)	118.1037	1.657	3	118.1037	2.745	3	118.1037	2.745	3	122.9634	22.840	7	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:O-1:	C[5,5,6]-4:S[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5,5,6]S[5])(CCH)(O)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,5,6]S[5])(CCH)(O)	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)(CCO){3|C<4>,4|H<1>}	C(CC[6a]H)(CN[5]O)(H)	117.1970	0.000	1	117.1970	0.000	1	117.1970	0.000	1	117.1970	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:2:	4:3:3:	3:3:1:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:I-1:	C(N[5]C[5]2)(CC[6a]I)(OC)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(C[6a]C[6a]2)(CN[5]O)(I)	C(N[5]C[5]2)(CC[6a]I)(OC)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(C[6a]C[6a]2)(CN[5]O)(I)	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	126.8200	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:2:	4:3:3:	3:4:3:	N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-3:	C-3:C-4:C-3:	C(N[5]C[5]2)(CCC)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(OSi)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	C(CN[5]O)(CH3)(CCH)	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	122.7720	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C-3:N-3:	C[5]-3:O[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	C(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CN[5]N)(H)	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	123.9280	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(CN[5]C)(OC)(O)	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	116.6770	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:N-3:	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC)	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C(N[5]C[5]2)(CC[6a]N)(COO)	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C(C[6a]C[6a]2)(CN[5]C)(NHH)	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	930	0:SP2_SP2_SP3	C	N[5]	C	3:3:3:	4:2:3:	3:3:2:	N[5]-3:C[6a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C-3:S-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]C){1|C<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	119.7060	0.000	1	119.7060	0.000	1	119.7060	0.000	1	119.7060	0.000	1	121.0702	17.795	21	121.0702	17.795	21
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:1:	4:4:3:	3:3:	N[5]-3:N-2:O-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(O)	N[5](C[5]C[5]HH)2(CNO)	N(C[6a]C[6a]2)(CN[5]O)	C(N[5]C[5]2)(NC[6a])(O)	N[5](C[5]C[5]HH)2(CNO){4|H<1>}	N(C[6a]C[6a]2)(CN[5]O)	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	115.2860	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	3:3:3:	3:1:	N[5]-3:S-2:N-2:	N[5]-3:C[5]-3:C-3:	C-3:H-1:	C(N[5]C[5]N[5])(SRe)(NH)	N[5](N[5]C[5]Re)(C[5]C[5]O)(CNS)	N(CN[5]S)(H)	C(N[5]C[5]N[5])(SRe)(NH)	N[5](N[5]C[5]Re)(C[5]C[5]O)(CNS){2|C<4>}	N(CN[5]S)(H)	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	3:3:3:	3:3:	N[5]-3:N-2:S-2:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]N[5])(NC[6a])(SNi)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNS)	N(C[6a]C[6a]2)(CN[5]S)	C(N[5]C[5]N[5])(NC[6a])(SNi)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNS){2|H<1>}	N(C[6a]C[6a]2)(CN[5]S)	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	3:3:3:	3:4:	N[5]-3:S-2:N-2:	N[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]N[5])(SPd)(NC)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CNS)	N(CN[5]S)(CCHH)	C(N[5]C[5]N[5])(SPd)(NC)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	N(CN[5]S)(CCHH)	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	117.1930	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	3:4:3:	3:3:	N[5]-3:N-2:N-2:	C[5,6a]-3:C[5]-4:C-3:	C[6a]-3:C-3:	C(N[5]C[5,6a]C[5])(NC[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN)	N(C[6a]C[6a]2)(CN[5]N)	C(N[5]C[5,6a]C[5])(NC[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN){1|Pd<4>,1|C<4>,3|C<3>}	N(C[6a]C[6a]2)(CN[5]N)	118.5300	1.229	2	118.5300	1.510	2	118.5300	1.510	2	118.5300	1.510	2	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:3:3:	3:3:	N[5]-3:S-2:N-2:	C[5]-4:C[5]-3:C-3:	C-3:N-3:	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CNS)	N(CN[5]S)(NCuC)	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CNS){4|H<1>}	N(CN[5]S)(NCuC)	115.5360	0.000	1	115.5360	0.000	1	115.5360	0.000	1	115.5360	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:4:3:	3:3:	N[5]-3:N-2:S-2:	C[5]-4:C[5]-4:C-3:	C-3:N-3:	C(N[5]C[5]2)(NN)(SV)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(NCV)	C(N[5]C[5]2)(NN)(SV)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(NCV)	117.0090	0.000	1	117.0090	0.000	1	117.0090	0.000	1	115.8401	0.621	8	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:4:3:	3:3:	N[5]-3:S-2:N-2:	C[5]-4:C[5]-4:C-3:	C-3:C-3:	C(N[5]C[5]2)(SRh)(NC)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(CCO)	C(N[5]C[5]2)(SRh)(NC)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(CCO)	115.2403	0.538	3	115.2403	0.290	3	115.2403	0.290	3	115.8401	0.621	8	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:4:3:	3:3:	N[5]-3:S-2:N-2:	C[5]-4:C[5]-4:C-3:	C-3:N-3:	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(NCuC)	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)2(CNS){3|H<1>}	N(CN[5]S)(NCuC)	116.7960	0.000	1	116.0007	0.611	3	116.0007	0.611	3	115.8401	0.621	8	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:4:3:	3:3:	N[5]-3:S-2:N-2:	C[5]-4:C[5]-4:C-3:	C-3:N-3:	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(NCuC)	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(NCuC)	115.6030	0.523	2	116.0007	0.611	3	116.0007	0.611	3	115.8401	0.621	8	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:4:3:	3:3:	N[5]-3:S-2:N-2:	C[5]-4:C[5]-4:C-3:	N-3:C-3:	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)2(CNS)	N(NC[5a]Cu)(CN[5]S)	C(N[5]C[5]2)(SCu)(NN)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(NC[5a]Cu)(CN[5]S)	115.9890	0.000	1	115.9890	0.000	1	115.9890	0.000	1	115.8401	0.621	8	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:2:	4:4:3:	3:4:	N[5]-3:O-2:N-2:	C[5]-4:C[5]-4:C-3:	C-3:P-4:	C(N[5]C[5]2)(OZn)(NP)	N[5](C[5]C[5]HH)2(CNO)	N(CN[5]O)(PCCS)	C(N[5]C[5]2)(OZn)(NP)	N[5](C[5]C[5]HH)2(CNO){4|H<1>}	N(CN[5]O)(PCCS)	115.8380	0.536	2	115.8380	0.287	2	115.8380	0.287	2	115.8380	0.287	2	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:3:	4:3:3:	3:3:	N[5]-3:N-2:C-3:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CSiC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CSiC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCN){2|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:2:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-2:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CC3)	N[5](C[5]C[5]H)(C[5]N[5])(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CC3)	N[5](C[5]C[5]H)(C[5]N[5])(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	114.4547	0.385	3	114.7675	0.490	4	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCN){1|Ir<6>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	115.7060	0.000	1	114.7675	0.490	4	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	115.4960	0.276	2	115.6850	0.145	3	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	116.0630	0.000	1	115.6850	0.145	3	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	115.9600	0.000	1	115.9600	0.000	1	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	114.7250	0.000	1	114.6733	0.006	3	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCN){1|Ir<6>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	114.6475	0.093	2	114.6733	0.006	3	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:2:4:	3:3:3:	3:3:	N[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(NC[6a])(CH3)	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	114.4400	0.000	1	114.4400	0.000	1	115.0454	0.448	12	115.0454	0.448	12	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:2:	N[5]-3:N-3:N-2:	N[5]-3:C[5]-3:C-3:	C-3:C-2:	C(N[5]C[5]N[5])(NMnH)(NC)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CNN)	N(CN[5]N)(CN)	C(N[5]C[5]N[5])(NMnH)(NC)	N[5](N[5]C[5]Mn)(C[5]C[5]C)(CNN){1|C<4>,1|H<1>}	N(CN[5]N)(CN)	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C-3:N[6]-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NN[6])	N[5](C[5]C[5,6a]O)2(CC[6a]N)	N(CC[6a]N[5])(N[6]C[6]2)	C(C[6a]C[6a]2)(N[5]C[5]2)(NN[6])	N[5](C[5]C[5,6a]O)2(CC[6a]N){2|C<3>}	N(CC[6a]N[5])(N[6]C[6]2)	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	115.5121	16.291	7	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]Ge[5,5]N[5])(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>,4|O<2>}	N(C[6a]C[6a]2)(CC[6a]N[5])	113.8920	0.533	2	113.8920	0.284	2	113.9935	0.177	6	115.5121	16.291	7	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]N[5]Cu)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[5])	114.3905	0.293	2	114.3905	0.086	2	113.9935	0.177	6	115.5121	16.291	7	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[6a]N[5])	113.6980	0.047	2	113.6980	0.002	2	113.9935	0.177	6	115.5121	16.291	7	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:4:	N[5]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C-3:C-4:	C(N[5]C[5]2)2(NC)	N[5](C[5]C[5]O)2(CN[5]N)	N(CN[5]2)(CCHH)	C(N[5]C[5]2)2(NC)	N[5](C[5]C[5]O)2(CN[5]N){4|H<1>}	N(CN[5]2)(CCHH)	123.7890	4.886	2	123.7890	23.874	2	123.7890	23.874	2	123.7890	23.874	2	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:4:3:	3:3:	N[5]-3:C-3:N-2:	C[5,6a]-3:C[5]-4:C-3:	C[6a]-3:C-3:	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:2:3:	3:3:	N[5]-3:N-3:N-2:	C[5]-4:N[5]-2:C-3:	C-3:C-3:	C(N[5]C[5]N[5])(NHH)(NC)	N[5](C[5]C[5]CC)(N[5]C[5])(CNN)	N(CN[5]N)(CNN)	C(N[5]C[5]N[5])(NHH)(NC)	N[5](C[5]C[5]CC)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	N(CN[5]N)(CNN)	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	116.2670	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]N[5])	115.8810	0.000	1	115.8810	0.000	1	115.8810	0.000	1	117.0932	2.184	4	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:3:3:	3:3:	N[5]-3:C[6a]-3:N-2:	C[5,5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(NC[6a])	N[5](C[5,5]N[5,5]C[6a]Ge[5])(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(NC[6a])	N[5](C[5,5]N[5,5]C[6a]Ge[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,1|I<1>,1|N<3>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]N[5])	118.3460	0.520	2	118.3460	0.271	2	118.3460	0.271	2	117.0932	2.184	4	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:3:3:	3:3:	N[5]-3:C[6a]-3:N-2:	S[5]-4:C[5]-3:C-3:	C-3:C-3:	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]N)	N(CC[6a]N[5])(CNN)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(NC)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]N){2|C<3>}	N(CC[6a]N[5])(CNN)	115.8000	0.000	1	115.8000	0.000	1	115.8000	0.000	1	117.0932	2.184	4	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:4:3:	3:3:	N[5]-3:N-3:N-2:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N[5](C[5]C[5]HH)2(CNN)	N(C[6a]C[6a]2)(CN[5]N)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	N(C[6a]C[6a]2)(CN[5]N)	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:4:3:	4:3:	N[5]-3:N[5]-3:N-2:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-3:	C(N[5]C[5]2)2(NC[5])	N[5](C[5]C[5]HH)2(CN[5]N)	N(C[5]C[5]2Fe)(CN[5]2)	C(N[5]C[5]2)2(NC[5])	N[5](C[5]C[5]HH)2(CN[5]N){4|H<1>}	N(C[5]C[5]2Fe)(CN[5]2)	122.7280	6.361	2	122.7280	40.464	2	122.7280	40.464	2	122.7280	40.464	2	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:4:2:	3:3:3:	3:5:	N[5]-3:C-4:N-2:	C[5]-3:C[5]-3:C-3:	C-3:C-5:	C(N[5]C[5]2)(CH3)(NC)	N[5](C[5]C[5]O)2(CCN)	N(CN[5]C)(CFe3C)	C(N[5]C[5]2)(CH3)(NC)	N[5](C[5]C[5]O)2(CCN){2|H<1>}	N(CN[5]C)(CFe3C)	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:4:2:	3:4:3:	4:3:	N[5]-3:C-4:N-2:	C[5,6a]-3:C[5]-4:C-3:	S-4:C-3:	C(N[5]C[5,6a]C[5])(CH3)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	N(SC[6a]OO)(CN[5]C)	C(N[5]C[5,6a]C[5])(CH3)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	N(SC[6a]OO)(CN[5]C)	117.2570	0.000	1	117.2570	0.000	1	117.2570	0.000	1	117.2570	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:4:2:	4:3:3:	3:3:	N[5]-3:C-4:N-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(N[5]C[5]2)(CC[6a]HH)(NC[6a])	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCN)	N(C[6a]C[6a]2)(CN[5]C)	C(N[5]C[5]2)(CC[6a]HH)(NC[6a])	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCN){2|H<1>}	N(C[6a]C[6a]2)(CN[5]C)	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	114.3720	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP2	C	N[5]	N	3:4:2:	4:4:3:	3:3:	N[5]-3:C-4:N-2:	C[5]-4:C[5]-4:C-3:	C-3:C-3:	C(N[5]C[5]2)(CH3)(NC)	N[5](C[5]C[5]HH)2(CCN)	N(CN[5]C)(COO)	C(N[5]C[5]2)(CH3)(NC)	N[5](C[5]C[5]HH)2(CCN){1|O<2>,3|H<1>}	N(CN[5]C)(COO)	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	116.6917	9.569	54	116.6917	9.569	54
930	542	941	0:SP2_SP2_SP3	C	N[5]	N	3:3:2:	4:3:3:	3:3:	C[6a]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(NC[6a])	N[5](C[5]C[6a]N[5]Ge)(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CC[6a]N[5])	118.4300	0.000	1	118.4300	0.000	1	118.4300	0.000	1	118.4300	0.000	1	118.4975	0.009	2	118.4975	0.009	2
930	542	941	0:SP2_SP2_SP3	C	N[5]	N	3:3:2:	4:4:3:	4:3:	N[5]-3:N-3:N-2:	C[5,5]-4:C[5]-4:C-3:	C[6]-4:C-3:	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN)	N(C[6]C[6]2H)(CN[5]N)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN){2|C<4>,5|H<1>}	N(C[6]C[6]2H)(CN[5]N)	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	118.4975	0.009	2	118.4975	0.009	2
930	542	944	0:SP2_SP-NON_SP2	C	N[5]	I	3:3:1:	4:3:3:	3:	N[5]-3:C-3:I-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCC)(I)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCI)	I(CN[5]C)	C(N[5]C[5]2)(CCC)(I)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCI){2|H<1>}	I(CN[5]C)	113.6870	0.178	2	113.6870	0.032	2	113.6870	0.032	2	113.6870	0.032	2	113.6870	0.032	2	113.6870	0.032	2
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CHH)	H(CN[5]H)	C(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]Pd)(N[5]N[5])(CHH){2|C<4>}	H(CN[5]H)	109.9480	0.027	2	109.9480	0.001	2	109.9480	0.001	2	109.9480	0.001	2	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH)	H(CN[5]H)	C(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH){1|Cu<5>,1|H<1>,2|C<3>}	H(CN[5]H)	111.5855	3.207	2	111.5855	10.283	2	111.5855	10.283	2	111.8925	5.021	10	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CHH)	H(CN[5]H)	C(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]C)(CHH){2|H<1>}	H(CN[5]H)	113.2425	4.494	2	113.2425	20.193	2	111.9693	4.952	8	111.8925	5.021	10	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH)	H(CN[5]H)	C(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH){1|Re<7>,1|H<1>}	H(CN[5]H)	111.7220	1.983	2	112.2073	1.627	4	111.9693	4.952	8	111.8925	5.021	10	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH)	H(CN[5]H)	C(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(CHH){2|H<1>}	H(CN[5]H)	112.6925	0.091	2	112.2073	1.627	4	111.9693	4.952	8	111.8925	5.021	10	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CHH)	H(CN[5]H)	C(N[5]C[5]2)(H)2	N[5](C[5]N[5]Ni)(C[5]C[5]H)(CHH){1|C<3>,1|H<1>}	H(CN[5]H)	110.2200	0.062	2	110.2200	0.004	2	111.9693	4.952	8	111.8925	5.021	10	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	3:4:3:	3:	N[5]-3:H-1:O-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(N[5]C[5,6a]C[5])(H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO)	H(CN[5]O)	C(N[5]C[5,6a]C[5])(H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO){1|H<1>,1|O<1>,6|C<3>}	H(CN[5]O)	117.6840	0.000	1	117.6840	0.000	1	117.6840	0.000	1	117.6840	0.000	1	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:2:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO)	H(CN[5]O)	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	H(CN[5]O)	118.4590	0.000	1	118.4590	0.000	1	118.0695	0.139	4	118.0695	0.139	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:2:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	H(CN[5]O)	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){1|C<4>,2|C<3>,2|H<1>}	H(CN[5]O)	117.5810	0.000	1	117.9397	0.107	3	118.0695	0.139	4	118.0695	0.139	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:2:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO)	H(CN[5]O)	C(N[5]C[5]N[5])(H)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	H(CN[5]O)	118.1190	0.144	2	117.9397	0.107	3	118.0695	0.139	4	118.0695	0.139	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO)	H(CN[5]O)	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CN[5]O)	118.1520	0.000	1	118.3265	0.061	2	118.3265	0.061	2	114.4576	22.440	7	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:O-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO)	H(CN[5]O)	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(CN[5]O)	118.5010	0.000	1	118.3265	0.061	2	118.3265	0.061	2	114.4576	22.440	7	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO)	H(CN[5]O)	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]O)	109.4160	0.535	3	109.4160	0.286	3	112.9100	23.166	5	114.4576	22.440	7	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[5]CC)(C[5]C[5]N)(CHO)	H(CN[5]O)	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[5]CC)(C[5]C[5]N)(CHO){1|C<2>,1|C<3>}	H(CN[5]O)	117.6350	0.000	1	117.6350	0.000	1	112.9100	23.166	5	114.4576	22.440	7	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CHO)	H(CN[5]O)	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CHO){1|H<1>,3|C<3>}	H(CN[5]O)	118.6670	0.000	1	118.6670	0.000	1	112.9100	23.166	5	114.4576	22.440	7	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:4:3:	3:	N[5]-3:H-1:O-1:	C[5,5]-4:C[5,6]-4:C-3:	C-3:	C(N[5]C[5,5]C[5,6])(H)(O)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])(CHO)	H(CN[5]O)	C(N[5]C[5,5]C[5,6])(H)(O)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])(CHO){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(CN[5]O)	118.8210	0.000	1	118.8210	0.000	1	118.8210	0.000	1	118.7334	0.503	5	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:4:3:	3:	N[5]-3:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CHO)	H(CN[5]O)	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(CN[5]O)	117.6950	0.000	1	117.6950	0.000	1	118.1550	0.423	2	118.7334	0.503	5	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:4:3:	3:	N[5]-3:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CO)(CHO)	H(CN[5]O)	C(N[5]C[5,5]C[5])(H)(O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CO)(CHO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(CN[5]O)	118.6150	0.000	1	118.6150	0.000	1	118.1550	0.423	2	118.7334	0.503	5	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:4:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CHO)	H(CN[5]O)	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CHO){1|H<1>,1|O<2>,2|C<4>}	H(CN[5]O)	119.6800	0.000	1	119.6800	0.000	1	119.2680	0.339	2	118.7334	0.503	5	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:1:1:	4:4:3:	3:	N[5]-3:H-1:O-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)	H(CN[5]O)	C(N[5]C[5]2)(H)(O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO){2|C<3>,4|H<1>}	H(CN[5]O)	118.8560	0.000	1	118.8560	0.000	1	119.2680	0.339	2	118.7334	0.503	5	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:2:1:	3:3:3:	3:	N[5]-3:O-2:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	H(CN[5]O)	C(N[5]C[5,6a]C[5])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]O)	125.3745	0.135	2	125.3745	0.018	2	125.3745	0.018	2	125.3745	0.018	2	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:2:1:	4:3:3:	3:	N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	116.7310	0.000	1	116.7310	0.000	1	117.3705	0.818	2	117.3705	0.818	2	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:2:1:	4:3:3:	3:	N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	H(CN[5]C)	118.0100	0.000	1	118.0100	0.000	1	117.3705	0.818	2	117.3705	0.818	2	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:2:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-2:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]O[5]O)(C[5]C[5])(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]O[5]O)(C[5]C[5])(CC[6]H)	H(CC[6]N[5])	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(CC[6]H){2|C<3>}	H(CC[6]N[5])	118.9170	0.000	1	118.9170	0.000	1	117.6388	2.473	4	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	N[5](C[5]N[5]Fe)(C[5]C[5]H)(CC[6]H){1|C<3>,1|H<1>}	H(CC[6]N[5])	117.2127	1.619	3	117.2127	2.620	3	117.6388	2.473	4	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)	N[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[6]H){1|C<4>,1|H<1>}	H(CC[6]N[5])	123.0070	0.000	2	123.0070	0.000	2	123.0070	0.000	2	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	H(CN[5]C)	113.3910	0.000	1	113.3910	0.000	1	111.3500	8.331	2	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	H(CN[5]C)	109.3090	0.000	1	109.3090	0.000	1	111.3500	8.331	2	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CBrC)(H)	N[5](C[5]C[5]O)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CBrC)(H)	N[5](C[5]C[5]O)2(CCH){4|H<1>}	H(CN[5]C)	114.9200	0.000	1	114.9200	0.000	1	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]O)2(CCH){2|C<3>}	H(CN[5]C)	118.5870	0.000	1	118.5870	0.000	1	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]O)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]O)2(CCH){1|C<3>,2|H<1>}	H(CN[5]C)	116.4400	0.000	1	116.4400	0.000	1	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]C)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	H(CN[5]C)	115.0880	0.000	1	115.0880	0.000	1	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]Rh)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]Rh)(H)	N[5](C[5]N[5]Rh)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	123.0300	0.000	1	123.0300	0.000	1	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]C)(CCH){1|Co<6>,1|H<1>}	H(CN[5]C)	118.5485	0.469	4	118.5485	0.220	4	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	121.3260	1.857	7	119.7925	4.987	17	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Co<6>,1|H<1>}	H(CN[5]C)	117.8690	0.000	1	119.7925	4.987	17	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Cu<6>,1|H<1>}	H(CN[5]C)	120.1940	0.511	2	119.7925	4.987	17	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Fe<6>,1|H<1>}	H(CN[5]C)	117.4830	1.001	2	119.7925	4.987	17	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){1|Ni<6>,1|H<1>}	H(CN[5]C)	119.0373	2.614	4	119.7925	4.987	17	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(CCH){2|H<1>}	H(CN[5]C)	117.8190	0.000	1	119.7925	4.987	17	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	117.4945	0.032	2	117.6127	0.042	3	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]H)(C[5]N[5]S)(CCH){2|H<1>}	H(CN[5]C)	117.8490	0.000	1	117.6127	0.042	3	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[6a]C[5])(C[5]N[5]H)(CCH){1|C<4>,3|C<3>}	H(CN[5]C)	121.4320	0.000	1	121.4320	0.000	1	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CRuH)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CRuH)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	H(CN[5]C)	123.6650	0.000	1	123.9877	0.080	3	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CRuH)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CRuH)(H)	N[5](C[5]N[5]Ru)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	124.1490	0.054	2	123.9877	0.080	3	119.5444	6.989	33	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(N[5]C[5]N[5])(CCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]N[5])(CCH)(H)	N[5](C[5]C[5]O)(N[5]C[5]C)(CCH){4|H<1>}	H(CN[5]C)	115.3655	0.315	2	115.3655	0.099	2	115.3655	0.099	2	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]N[5])(CCN)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]N[5])(CCN)(H)	N[5](N[5]C[5]Li)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	117.6720	0.000	1	117.6720	0.000	1	117.0407	0.431	3	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]N[5])(CC[6a]N)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]N[5])(CC[6a]N)(H)	N[5](N[5]C[5]Al)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	117.0880	0.000	1	117.0880	0.000	1	117.0407	0.431	3	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]N[5])(CHH)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]N[5])(CHH)(H)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CCH){1|C<3>,1|H<1>}	H(CN[5]C)	116.3620	0.000	1	116.3620	0.000	1	117.0407	0.431	3	118.8280	9.850	46	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:	C(N[5]C[5,6a]C[5,5])(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	H(CN[5]C)	116.5072	0.366	4	116.5072	0.134	4	116.5072	0.134	4	116.7768	0.360	6	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	H(CN[5]C)	117.3160	0.725	2	117.3160	0.526	2	117.3160	0.526	2	116.7768	0.360	6	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]S[5a])(N[5]C[5]N[5])(H)	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H)	H(CC[5a]N[5])	C(C[5a]C[5a]S[5a])(N[5]C[5]N[5])(H)	N[5](C[5]C[6a]N[5]H)(N[5]C[5])(CC[5a]H){1|C<4>,1|O<1>,2|C<3>}	H(CC[5a]N[5])	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	117.6358	4.879	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:2:3:	3:	C[6a]-3:N[5]-3:H-1:	In[5]-4:N[5]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	N[5](In[5]O[5]SS)(N[5]C[5])(CC[6a]H)	H(CC[6a]N[5])	C(C[6a]C[6a]N[6a])(N[5]In[5]N[5])(H)	N[5](In[5]O[5]SS)(N[5]C[5])(CC[6a]H){1|C<3>}	H(CC[6a]N[5])	120.7820	0.000	1	120.7820	0.000	1	120.7820	0.000	1	117.6358	4.879	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:2:3:	3:	N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H)	H(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5]HH)(N[5]C[5])(CC[6a]H){1|O<2>,2|H<1>}	H(CC[6a]N[5])	116.4880	0.000	1	116.4880	0.000	1	116.1405	0.242	2	117.6358	4.879	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:2:3:	3:	N[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H)	H(CC[6a]N[5])	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CC[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]N[5])	115.7930	0.000	1	115.7930	0.000	1	116.1405	0.242	2	117.6358	4.879	4	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	C[4]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[4]C[4,5,5]C[4])(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[4]H)	H(CC[4]N[5])	C(C[4]C[4,5,5]C[4])(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[4]H){2|H<1>}	H(CC[4]N[5])	116.0770	0.000	1	116.0770	0.000	1	115.7460	0.219	2	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	C[4]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[4]C[4]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[4]H)	H(CC[4]N[5])	C(C[4]C[4]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[4]H){2|H<1>}	H(CC[4]N[5])	115.4150	0.000	1	115.4150	0.000	1	115.7460	0.219	2	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5]H)	H(CC[5]N[5])	C(C[5]C[5]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5]H){2|H<1>}	H(CC[5]N[5])	117.8130	0.321	2	117.8130	0.103	2	117.8130	0.103	2	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H){2|H<1>}	H(CC[6]N[5])	115.7430	0.000	1	115.7430	0.000	1	116.7187	1.094	6	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H){2|H<1>}	H(CC[6]N[5])	116.9138	1.040	5	116.9138	1.082	5	116.7187	1.094	6	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[3x5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[3x5]C[5])(CCH)(H)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH)	H(CN[5]C)	C(N[5]C[3x5]C[5])(CCH)(H)	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH){6|C<3>}	H(CN[5]C)	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){4|H<1>}	H(CN[5]C)	116.6428	0.238	4	116.6428	0.056	4	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCH){3|H<1>}	H(CN[5]C)	117.2050	0.315	2	117.2050	0.099	2	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	118.0470	0.157	7	118.0470	0.024	7	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	H(CN[5]C)	110.2170	0.000	1	110.2170	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[5a]C)(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)(CCH){1|C<4>,1|O<1>}	H(CN[5]C)	116.3180	0.000	1	116.3180	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	115.2050	0.000	1	115.2050	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	117.4510	0.000	1	117.4510	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	114.1590	0.000	1	114.1590	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	H(CN[5]C)	116.4805	0.979	2	116.4805	0.959	2	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]N[5,6a]CO)(C[5]C[5,6a]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]N[5,6a]CO)(C[5]C[5,6a]O)(CCH){2|C<3>}	H(CN[5]C)	116.8500	0.000	1	116.8500	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CGeC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CGeC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	116.2210	0.000	1	116.2210	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CHH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){4|H<1>}	H(CN[5]C)	117.3330	0.000	1	117.3330	0.000	1	116.6967	3.035	23	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5,5]C[5])2(H)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]H)	H(CN[5]2)	C(N[5]C[5,5]C[5])2(H)	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]H){1|C<3>,1|N<3>,3|C<4>}	H(CN[5]2)	123.1315	0.148	2	123.1315	0.022	2	123.1815	0.023	6	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5,5]C[5])2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]H)	H(CN[5]2)	C(N[5]C[5,5]C[5])2(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CN[5]2)	123.2065	0.171	4	123.2065	0.029	4	123.1815	0.023	6	117.8866	8.725	40	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]HH)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5,6a]HH)2(CCH){2|C<3>}	H(CN[5]C)	117.2250	0.000	1	117.2250	0.000	1	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(CN[5]C)	117.4017	0.869	3	117.4017	0.756	3	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH){1|C<4>,1|O<1>}	H(CN[5]C)	116.9720	0.000	1	116.9720	0.000	1	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	H(CN[5]C)	117.4480	0.037	2	117.4480	0.001	2	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH){1|C<4>,1|O<1>,2|C<3>}	H(CN[5]C)	115.9355	0.054	2	115.9355	0.003	2	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6]H)(H)	N[5](C[5]C[5]HH)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6]H)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	H(CN[5]C)	116.3840	0.000	1	116.3840	0.000	1	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(CN[5]C)	115.8830	0.240	3	115.8830	0.057	3	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(CN[5]C)	116.7920	0.000	1	116.7920	0.000	1	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]HH)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	H(CN[5]C)	115.9430	0.000	1	115.9430	0.000	1	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]H)(H)	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH){4|H<1>}	H(CN[5]C)	116.2460	0.000	1	116.2460	0.000	1	116.6364	0.571	16	116.6364	0.571	16	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	5:2:3:	3:	N[5]-3:C[6a]-3:H-1:	Si[5,5]-5:N[5]-2:C-3:	C-3:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H)	H(CC[6a]N[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](Si[5,5]C[6a]N[5]O[5]2)(N[5]C[5])(CC[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(CC[6a]N[5])	114.5740	0.000	1	114.5740	0.000	1	113.6113	2.176	3	113.6113	2.176	3	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:3:1:	5:2:3:	3:	N[5]-3:C[6a]-3:H-1:	Si[5,5]-5:N[5]-2:C-3:	C-3:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H)	H(CC[6a]N[5])	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(H)	N[5](Si[5,5]N[5]O[5]2C)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<2>,2|C<4>}	H(CC[6a]N[5])	113.1300	1.721	2	113.1300	2.962	2	113.6113	2.176	3	113.6113	2.176	3	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:4:1:	3:3:3:	3:	N[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	H(CN[5]C)	C(N[5]C[5,6a]C[5])(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH){1|H<1>,2|C<3>,2|C<4>}	H(CN[5]C)	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	116.8157	57.510	3	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:4:1:	3:3:3:	3:	N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCHH)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCHH)(H)	N[5](C[5]N[5]Ir)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	121.1740	0.000	1	121.1740	0.000	1	114.6165	86.002	2	116.8157	57.510	3	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:4:1:	3:3:3:	3:	N[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CCHH)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CCHH)(H)	N[5](C[5]N[5]Se)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	H(CN[5]C)	108.0590	0.000	1	108.0590	0.000	1	114.6165	86.002	2	116.8157	57.510	3	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP2	C	N[5]	H	3:4:1:	4:4:3:	3:	N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]CH)(H)	N[5](C[5]C[5]HH)2(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]CH)(H)	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	H(CN[5]C)	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	117.3448	12.387	153	117.3448	12.387	153
930	542	951	0:SP2_SP-NON_SP3	C	N[5,6]	H	3:1:1:	4:4:3:	3:	N[5,6]-3:H-1:O-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(N[5,6]C[5,6]2)(H)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO)	H(CN[5,6]O)	C(N[5,6]C[5,6]2)(H)(O)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO){2|C<3>,2|C<4>,5|H<1>}	H(CN[5,6]O)	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:O-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]N[5])(H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO)	H(CN[5]O)	C(N[5]C[5]N[5])(H)(O)	N[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHO){1|O<1>,3|C<3>}	H(CN[5]O)	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:1:1:	4:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(N[5]C[5]O[5])(H)2	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH)	H(CN[5]H)	C(N[5]C[5]O[5])(H)2	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH){1|Pt<6>,3|C<3>}	H(CN[5]H)	103.8590	1.121	2	103.8590	1.258	2	103.8590	1.258	2	103.8590	1.258	2	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:3:1:	4:2:3:	3:	N[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	H(CC[6a]N[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|Pt<4>,3|C<3>}	H(CC[6a]N[5])	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	111.9500	0.000	1	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]H){1|C<3>,1|H<1>}	H(CC[6]N[5])	115.9940	0.000	1	115.9940	0.000	1	114.6850	3.716	4	115.5783	3.374	7	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H)	H(CC[6]N[5])	C(C[6]C[6]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]H){2|H<1>}	H(CC[6]N[5])	114.2487	2.105	3	114.2487	4.432	3	114.6850	3.716	4	115.5783	3.374	7	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	117.8180	0.000	1	117.8180	0.000	1	116.7693	0.825	3	115.5783	3.374	7	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]Ge)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	116.2520	0.000	1	116.2520	0.000	1	116.7693	0.825	3	115.5783	3.374	7	113.3513	26.140	11	113.6669	24.959	12
930	542	951	0:SP2_SP-NON_SP3	C	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(CC[6a]Si)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	H(CN[5]C)	C(N[5]C[5]2)(CC[6a]Si)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	H(CN[5]C)	116.2380	0.000	1	116.2380	0.000	1	116.7693	0.825	3	115.5783	3.374	7	113.3513	26.140	11	113.6669	24.959	12
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	3:2:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CNS){1|C<4>,1|N<2>}	N(CN[5]S)(H)2	113.4741	0.594	7	113.4741	0.353	7	113.4579	0.318	9	113.4579	0.318	9	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	3:2:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]N[5]N)(N[5]C[5])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]N[5]N)(N[5]C[5])(CNS){1|H<1>,1|N<3>}	N(CN[5]S)(H)2	113.4010	0.645	2	113.4010	0.416	2	113.4579	0.318	9	113.4579	0.318	9	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	3:3:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CN[5]O)(H)	113.2207	0.171	6	113.2207	0.029	6	113.2207	0.029	6	113.2207	0.029	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	3:3:3:	3:4:1:	N[5]-3:N-3:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5,6a]C[5])(NCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5,6a]C[5])(NCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO){1|H<1>,1|O<1>,2|C<3>}	N(CN[5]O)(CCHH)(H)	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	3:3:3:	3:4:4:	N[5]-3:N-3:S-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:C-4:C-4:	C(N[5]C[5,6a]C[5])(NCC)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	N(CN[5]S)(CH3)2	C(N[5]C[5,6a]C[5])(NCC)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	N(CN[5]S)(CH3)2	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	3:4:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5,6]-3:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS){2|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]S)(H)	113.5160	0.000	2	113.5160	0.000	2	113.5160	0.000	2	113.5160	0.000	2	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO)	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNO){1|C<4>,1|H<1>,3|C<3>}	N(CN[5]O)(H)2	116.3470	0.000	1	116.3470	0.000	1	116.3243	0.097	3	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){1|C<4>,2|C<3>,2|H<1>}	N(CN[5]O)(H)2	116.6240	0.000	1	116.3130	0.193	2	116.3243	0.097	3	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	N(CN[5]O)(H)2	116.0020	0.000	1	116.3130	0.193	2	116.3243	0.097	3	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS){1|H<1>,2|C<4>}	N(CN[5]S)(H)2	116.8450	0.000	1	116.8450	0.000	1	115.8907	0.291	17	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]CO)(N[5]C[5])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]CO)(N[5]C[5])(CNS){1|C<4>,2|H<1>}	N(CN[5]S)(H)2	116.0450	0.000	1	116.0450	0.000	1	115.8907	0.291	17	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	N(CN[5]S)(H)2	115.7324	0.407	14	115.7324	0.165	14	115.8907	0.291	17	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS){1|C<4>,2|C<3>,2|H<1>}	N(CN[5]S)(H)2	116.9980	0.000	1	116.9980	0.000	1	115.8907	0.291	17	115.9557	0.281	20	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]N[5])(NC[6a]H)(O)	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]N[5])(NC[6a]H)(O)	N[5](C[5]N[5,6]C[5]H)(N[5]C[5,6])(CNO){1|H<1>,2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CN[5]O)(H)	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	112.5998	0.731	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CN[5]S)(H)	112.3780	0.000	1	112.3780	0.000	1	112.1797	0.037	3	112.5998	0.731	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CN[5]S)(H)	112.0805	0.122	2	112.0805	0.015	2	112.1797	0.037	3	112.5998	0.731	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:C-4:H-1:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	N(CN[5]S)(CCHH)(H)	114.7830	0.000	1	114.7830	0.000	1	114.9243	0.167	4	114.9243	0.167	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:C-4:H-1:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS)	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS){1|O<2>,2|C<3>,2|H<1>}	N(CN[5]S)(CCHH)(H)	115.3850	0.000	1	115.3850	0.000	1	114.9243	0.167	4	114.9243	0.167	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:C-4:H-1:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	N(CN[5]S)(CCHH)(H)	115.0950	0.000	1	115.0950	0.000	1	114.9243	0.167	4	114.9243	0.167	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:2:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:C-4:H-1:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	N(CN[5]S)(CH3)(H)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	N(CN[5]S)(CH3)(H)	114.4340	0.000	1	114.4340	0.000	1	114.9243	0.167	4	114.9243	0.167	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:1:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(NHH)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)	N(CN[5]O)(H)2	C(N[5]C[5]2)(NHH)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO){2|C<3>}	N(CN[5]O)(H)2	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO)	N(C[6]C[6]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CN[5]O)(H)	114.7567	1.466	4	114.7567	2.150	4	114.7567	2.150	4	114.3834	1.419	10	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO){2|C<3>}	N(C[6a]C[6a]2)(CN[5]O)(H)	113.9150	0.000	1	113.9150	0.000	1	114.7242	0.360	4	114.3834	1.419	10	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CNO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	114.6220	0.000	1	114.6220	0.000	1	114.7242	0.360	4	114.3834	1.419	10	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CNO){2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	115.1800	0.014	2	115.1800	0.000	2	114.7242	0.360	4	114.3834	1.419	10	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N-3:O-1:	S[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]S[5])(NC[6a]H)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6a]H)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	N(C[6a]C[6a]2)(CN[5]O)(H)	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	114.3834	1.419	10	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5,5]-4:N[5]-3:C-3:	C-3:C-3:H-1:	C(N[5]C[5,5]N[5])(NCH)(S)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS)	N(CC[6a]O)(CN[5]S)(H)	C(N[5]C[5,5]N[5])(NCH)(S)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS){1|C<3>,2|C<4>,4|H<1>}	N(CC[6a]O)(CN[5]S)(H)	112.6960	0.000	1	112.6960	0.000	1	112.6960	0.000	1	114.3834	1.419	10	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:4:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)	N(CN[5]O)(CH3)(H)	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO){2|C<3>}	N(CN[5]O)(CH3)(H)	116.3110	0.000	1	116.3110	0.000	1	116.3980	0.015	2	116.0028	1.372	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:4:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CNO)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CNO){2|C<4>}	N(CN[5]O)(CCHH)(H)	116.4850	0.000	1	116.4850	0.000	1	116.3980	0.015	2	116.0028	1.372	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:4:1:	N[5]-3:N-3:O-1:	S[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]S[5])(NCH)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]S[5])(NCH)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	N(CN[5]O)(CCHH)(H)	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	116.0028	1.372	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS)	N(CN[5]S)(CCHH)(H)	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS){1|C<3>,1|H<1>}	N(CN[5]S)(CCHH)(H)	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	116.0028	1.372	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(O)	N[5](C[5]C[5]CH)(C[5]S[5]O)(CNO)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	N[5](C[5]C[5]CH)(C[5]S[5]O)(CNO){1|C<3>,1|H<1>}	N(C[6]C[6]2H)(CN[5]O)(H)	116.0400	0.000	1	116.0400	0.000	1	116.0400	0.000	1	114.9102	1.418	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	S-4:C-3:H-1:	C(N[5]C[5]2)(NHS)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CNO)	N(SN[5]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CNO){2|H<1>}	N(SN[5]OO)(CN[5]O)(H)	114.0150	0.000	1	114.0150	0.000	1	114.1223	0.506	3	114.9102	1.418	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-3:C-3:	S-4:C-3:H-1:	C(N[5]C[5]2)(NHS)(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CNO)	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CNO){2|H<1>}	N(SC[6a]OO)(CN[5]O)(H)	114.1760	0.997	2	114.1760	0.994	2	114.1223	0.506	3	114.9102	1.418	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:3:3:	4:3:1:	N[5]-3:N-3:O-1:	S[5]-4:C[5]-3:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]S[5])(NC[6]H)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]S[5])(NC[6]H)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	N(C[6]C[6]2H)(CN[5]O)(H)	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	114.9102	1.418	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:1:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(NHH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	N(CN[5]O)(H)2	C(N[5]C[5]2)(NHH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	N(CN[5]O)(H)2	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	118.0585	2.689	2	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:1:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(NHH)(S)	N[5](C[5]C[5,6a]HO)2(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]2)(NHH)(S)	N[5](C[5]C[5,6a]HO)2(CNS){2|C<3>}	N(CN[5]S)(H)2	116.8990	0.000	1	116.8990	0.000	1	116.8990	0.000	1	118.0585	2.689	2	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:2:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:N-2:H-1:	C(N[5]C[5]2)(NHN)(S)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(NC[5])(H)	C(N[5]C[5]2)(NHN)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(NC[5])(H)	112.9376	0.423	5	112.9376	0.179	5	112.9376	0.179	5	112.9376	0.179	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){2|C<4>,5|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	116.0372	0.576	12	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5]HH)2(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[5]HH)2(CNO){4|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	115.8500	0.277	2	115.8500	0.077	2	116.0005	0.328	4	116.0372	0.576	12	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNO)	N(C[6a]C[6a]2)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6a]H)(O)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNO){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CN[5]O)(H)	116.1510	0.904	2	116.1510	0.817	2	116.0005	0.328	4	116.0372	0.576	12	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS)	N(CC[6a]O)(CN[5]S)(H)	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CC[6a]O)(CN[5]S)(H)	115.9540	0.799	5	115.9540	0.638	5	115.9245	0.515	6	116.0372	0.576	12	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:C-3:H-1:	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(CCO)(H)	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(CCO)(H)	115.7770	0.000	1	115.7770	0.000	1	115.9245	0.515	6	116.0372	0.576	12	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[5]HH)2(CNS)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(C[6a]C[6a]2)(CN[5]S)(H)	115.3630	0.000	1	115.3630	0.000	1	115.3630	0.000	1	116.0372	0.576	12	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:3:3:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a]2)(O)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)	N(C[6a]C[6a]2)2(CN[5]O)	C(N[5]C[5]2)(NC[6a]2)(O)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO){4|H<1>}	N(C[6a]C[6a]2)2(CN[5]O)	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	115.0670	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	N(CN[5]O)(CCHH)(H)	116.1170	0.000	1	116.1170	0.000	1	116.1170	0.000	1	116.2703	1.648	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(CH3)(H)	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(CH3)(H)	117.0160	1.662	2	117.0160	2.761	2	117.0160	2.761	2	116.2703	1.648	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:P-4:H-1:	C(N[5]C[5]2)(NHP)(S)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(PCCS)(H)	C(N[5]C[5]2)(NHP)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(PCCS)(H)	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	116.2703	1.648	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:Se-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(Se)	N[5](C[5]C[5]HH)2(CSeN)	N(CN[5]Se)(CC3)(H)	C(N[5]C[5]2)(NCH)(Se)	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	N(CN[5]Se)(CC3)(H)	115.1200	0.000	1	115.1200	0.000	1	116.2610	2.604	2	116.2703	1.648	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:Se-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(Se)	N[5](C[5]C[5]HH)2(CSeN)	N(CN[5]Se)(CCHH)(H)	C(N[5]C[5]2)(NCH)(Se)	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	N(CN[5]Se)(CCHH)(H)	117.4020	0.000	1	117.4020	0.000	1	116.2610	2.604	2	116.2703	1.648	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	3:4:4:	N[5]-3:N-3:O-1:	S[5]-4:S[5]-4:C-3:	C-3:C-4:C-4:	C(N[5]S[5]2)(NCC)(O)	N[5](S[5]C[5,6a]OO)2(CNO)	N(CN[5]O)(CCHH)2	C(N[5]S[5]2)(NCC)(O)	N[5](S[5]C[5,6a]OO)2(CNO){2|C<3>}	N(CN[5]O)(CCHH)2	112.4490	0.000	1	112.4490	0.000	1	112.4490	0.000	1	112.4490	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	4:3:1:	N[5]-3:N-3:O-1:	C[5,5]-4:C[5]-4:C-3:	C-4:C-3:H-1:	C(N[5]C[5,5]C[5])(NCH)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO)	N(CC[6a]HH)(CN[5]O)(H)	C(N[5]C[5,5]C[5])(NCH)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N(CC[6a]HH)(CN[5]O)(H)	116.1755	1.018	2	116.1755	1.035	2	116.1755	1.035	2	116.2008	0.743	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	4:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	S-4:C-3:H-1:	C(N[5]C[5]2)(NHS)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	N(SC[6a]OO)(CN[5]O)(H)	C(N[5]C[5]2)(NHS)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<4>,2|H<1>}	N(SC[6a]OO)(CN[5]O)(H)	115.0290	0.000	1	115.0290	0.000	1	115.0290	0.000	1	116.2008	0.743	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	4:3:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(S)	N[5](C[5]C[5]HH)2(CNS)	N(C[6]C[6]2H)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6]H)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(C[6]C[6]2H)(CN[5]S)(H)	115.8830	0.000	1	115.8830	0.000	1	115.8830	0.000	1	116.2008	0.743	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	4:3:1:	N[5]-3:N-3:Se-1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(Se)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN)	N(C[6]C[6]2H)(CN[5]Se)(H)	C(N[5]C[5]2)(NC[6]H)(Se)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN){4|H<1>}	N(C[6]C[6]2H)(CN[5]Se)(H)	116.8770	0.000	1	116.8770	0.000	1	116.9710	0.018	2	116.2008	0.743	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:1:	4:4:3:	4:3:1:	N[5]-3:N-3:Se-1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(Se)	N[5](C[5]C[5]HH)2(CSeN)	N(C[6]C[6]2H)(CN[5]Se)(H)	C(N[5]C[5]2)(NC[6]H)(Se)	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	N(C[6]C[6]2H)(CN[5]Se)(H)	117.0650	0.000	1	117.0650	0.000	1	116.9710	0.018	2	116.2008	0.743	6	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:1:1:	N[5]-3:N-3:N-2:	N[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(NCo)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NCo)	N[5](N[5]C[5]Co)(C[5]C[5]C)(CNN){1|C<4>,1|H<1>}	N(CN[5]N)(H)2	117.5280	0.000	1	117.5280	0.000	1	117.4385	0.016	2	117.0474	0.816	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:1:1:	N[5]-3:N-3:N-2:	N[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(NNi)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NNi)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNN){1|C<4>,1|H<1>}	N(CN[5]N)(H)2	117.3490	0.000	1	117.3490	0.000	1	117.4385	0.016	2	117.0474	0.816	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:1:1:	N[5]-3:N-3:S-2:	N[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(SCd)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SCd)	N[5](N[5]C[5]Cd)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	N(CN[5]S)(H)2	117.9170	0.000	1	117.9170	0.000	1	116.7867	1.370	3	117.0474	0.816	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	3:3:3:	3:1:1:	N[5]-3:N-3:S-2:	N[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(SNi)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SNi)	N[5](N[5]C[5]Ni)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	N(CN[5]S)(H)2	116.2215	0.907	2	116.2215	0.823	2	116.7867	1.370	3	117.0474	0.816	5	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:2:3:	3:1:1:	N[5]-3:N-3:S-2:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(SCo)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SCo)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	N(CN[5]S)(H)2	117.3645	0.552	2	117.3645	0.305	2	117.3645	0.305	2	117.3645	0.305	2	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:4:3:	3:3:1:	N[5]-3:N-3:N-2:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N[5](C[5]C[5]HH)2(CNN)	N(C[6a]C[6a]2)(CN[5]N)(H)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	N(C[6a]C[6a]2)(CN[5]N)(H)	117.6450	0.000	1	117.6450	0.000	1	117.6450	0.000	1	118.0873	0.295	3	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:2:	4:4:3:	3:3:1:	N[5]-3:N-3:S-2:	C[5]-4:C[5]-4:C-3:	C-3:N-3:H-1:	C(N[5]C[5]2)(NHN)(SPd)	N[5](C[5]C[5]HH)2(CNS)	N(CN[5]S)(NPdC)(H)	C(N[5]C[5]2)(NHN)(SPd)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	N(CN[5]S)(NPdC)(H)	118.3085	0.544	2	118.3085	0.296	2	118.3085	0.296	2	118.0873	0.295	3	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	3:2:3:	3:4:3:	N[5]-3:N-3:C-3:	C[5]-3:O[5]-2:C-3:	C[6a]-3:S-4:C-3:	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	113.6570	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	3:2:3:	3:4:4:	N[5]-3:N[6]-3:N-3:	C[5,6a]-3:N[5]-2:C-3:	C-3:C-4:C-4:	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N)	N(CN[5]N[6])(CH3)2	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N){1|H<1>,1|O<1>,2|C<3>}	N(CN[5]N[6])(CH3)2	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	3:3:3:	3:4:4:	N[5]-3:N-3:N-3:	N[5]-3:C[5]-3:C-3:	C-3:C-4:C-4:	C(N[5]C[5]N[5])(NNiH)(NCC)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN)	N(CN[5]N)(CH3)2	C(N[5]C[5]N[5])(NNiH)(NCC)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN){2|H<1>}	N(CN[5]N)(CH3)2	116.6505	0.029	2	116.6505	0.001	2	116.6505	0.001	2	116.6505	0.001	2	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	3:3:3:	4:3:2:	N[5]-3:C-3:N-3:	C[5]-3:C[5]-3:C-3:	S-4:C-3:C-2:	C(N[5]C[5]2)(CC[6a]I)(NCS)	N[5](C[5]C[5]O)2(CCN)	N(SC[6a]OO)(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]I)(NCS)	N[5](C[5]C[5]O)2(CCN){4|H<1>}	N(SC[6a]OO)(CN[5]C)(CC[6a])	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	4:2:3:	3:1:1:	N[5]-3:N-3:N-3:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[5]CN)(N[5]C[5])(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[5]CN)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	N(CN[5]N)(H)2	119.9510	2.548	2	119.9510	6.494	2	120.2537	2.477	4	120.2537	2.477	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	4:2:3:	3:1:1:	N[5]-3:N-3:N-3:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)2	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNN){1|C<4>,2|C<3>,2|H<1>}	N(CN[5]N)(H)2	120.5565	0.754	2	120.5565	0.569	2	120.2537	2.477	4	120.2537	2.477	4	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	4:4:3:	3:1:1:	N[5]-3:N-3:N-3:	C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(NHH)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]2)(NHH)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN){1|O<2>,3|H<1>}	N(CN[5]N)(H)2	120.2600	1.161	2	120.2600	1.348	2	120.2600	1.348	2	120.2600	1.348	2	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:3:3:	4:4:3:	3:4:4:	N[5]-3:N-3:N-3:	C[5]-4:C[5]-4:C-3:	C-3:C-4:C-4:	C(N[5]C[5]2)(NCu2)(NCC)	N[5](C[5]C[5]HH)2(CNN)	N(CN[5]N)(CCHH)2	C(N[5]C[5]2)(NCu2)(NCC)	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	N(CN[5]N)(CCHH)2	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP2	C	N[5]	N	3:4:3:	4:4:3:	3:1:1:	N[5]-3:C-4:N-3:	C[5]-4:C[5]-4:C-3:	C-3:H-1:H-1:	C(N[5]C[5]2)(CH3)(NHH)	N[5](C[5]C[5]HH)2(CCN)	N(CN[5]C)(H)2	C(N[5]C[5]2)(CH3)(NHH)	N[5](C[5]C[5]HH)2(CCN){4|H<1>}	N(CN[5]C)(H)2	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	115.5172	4.244	123	115.5172	4.244	123
930	542	956	0:SP2_SP2_SP3	C	N[5,6]	N	3:3:1:	4:2:3:	3:1:1:	N[5,6]-3:N-3:O-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C-3:H-1:H-1:	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(CNO)	N(CN[5,6]O)(H)2	C(N[5,6]C[5,5,6]O[5,6])(NHH)(O)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(CNO){1|C<3>,4|C<4>}	N(CN[5,6]O)(H)2	117.1775	0.547	2	117.1775	0.299	2	117.1775	0.299	2	117.1775	0.299	2	117.1775	0.299	2	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:1:	4:2:3:	3:1:1:	N[5]-3:N-3:O-1:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO)	N(CN[5]O)(H)2	C(N[5]C[5]N[5])(NHH)(O)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNO){2|H<1>,3|C<3>}	N(CN[5]O)(H)2	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	115.4370	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:1:	4:4:3:	3:3:1:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS)	N(C[6a]C[6a]2)(CN[5]S)(H)	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(CN[5]S)(H)	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:1:	4:4:3:	3:3:3:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5]C[5]2)(NC[6a]2)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO)	N(C[6a]C[6a]2)2(CN[5]O)	C(N[5]C[5]2)(NC[6a]2)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO){4|H<1>}	N(C[6a]C[6a]2)2(CN[5]O)	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	N(CN[5]O)(CC3)(H)	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<3>,2|H<1>}	N(CN[5]O)(CC3)(H)	116.1620	0.000	1	116.1620	0.000	1	115.8770	0.162	2	115.8770	0.162	2	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:1:	4:4:3:	3:4:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-4:H-1:	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	N(CN[5]O)(CCHH)(H)	C(N[5]C[5]2)(NCH)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	N(CN[5]O)(CCHH)(H)	115.5920	0.000	1	115.5920	0.000	1	115.8770	0.162	2	115.8770	0.162	2	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:1:	4:4:3:	4:3:1:	N[5]-3:N-3:O-1:	C[5]-4:C[5]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5]2)(NC[6]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	N(C[6]C[6]2H)(CN[5]O)(H)	C(N[5]C[5]2)(NC[6]H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	N(C[6]C[6]2H)(CN[5]O)(H)	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:2:	3:3:3:	3:1:1:	N[5]-3:N-3:S-2:	N[5]-3:C[5]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(SRu)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CNS)	N(CN[5]S)(H)2	C(N[5]C[5]N[5])(NHH)(SRu)	N[5](N[5]C[5]Ru)(C[5]C[5]C)(CNS){1|C<4>,1|H<1>}	N(CN[5]S)(H)2	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:2:	4:2:3:	3:1:1:	N[5]-3:N-3:N-2:	C[5]-4:N[5]-2:C-3:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)(NC)	N[5](C[5]C[5]CC)(N[5]C[5])(CNN)	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)(NC)	N[5](C[5]C[5]CC)(N[5]C[5])(CNN){1|C<4>,2|H<1>}	N(CN[5]N)(H)2	116.8740	0.000	1	116.8740	0.000	1	116.8740	0.000	1	116.8740	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:2:	4:4:3:	4:3:1:	N[5]-3:N-3:N-2:	C[5,5]-4:C[5]-4:C-3:	C[6]-4:C-3:H-1:	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN)	N(C[6]C[6]2H)(CN[5]N)(H)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN){2|C<4>,5|H<1>}	N(C[6]C[6]2H)(CN[5]N)(H)	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:3:	3:2:3:	3:4:4:	N[5]-3:C-3:N-3:	C[5]-3:O[5]-2:C-3:	C-3:S-4:C-4:	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN)	N(CN[5]C)(SCOO)(CH3)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CCN){1|H<1>,3|C<3>}	N(CN[5]C)(SCOO)(CH3)	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	112.5000	0.000	1	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:3:	3:3:3:	3:4:4:	N[5]-3:N-3:N-3:	N[5]-3:C[5]-3:C-3:	C-3:C-4:C-4:	C(N[5]C[5]N[5])(NNiH)(NCC)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN)	N(CN[5]N)(CCHH)2	C(N[5]C[5]N[5])(NNiH)(NCC)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN){2|H<1>}	N(CN[5]N)(CCHH)2	115.5930	0.000	1	115.5930	0.000	1	115.5057	0.268	3	115.5057	0.268	3	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:3:	3:3:3:	3:4:4:	N[5]-3:N-3:N-3:	N[5]-3:C[5]-3:C-3:	C-3:C-4:C-4:	C(N[5]C[5]N[5])(NNiH)(NCC)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN)	N(CN[5]N)(CH3)2	C(N[5]C[5]N[5])(NNiH)(NCC)	N[5](N[5]C[5]Ni)(C[5]C[5]H)(CNN){2|H<1>}	N(CN[5]N)(CH3)2	115.4620	0.724	2	115.4620	0.524	2	115.5057	0.268	3	115.5057	0.268	3	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:3:	4:4:3:	3:4:4:	N[5]-3:N-3:N-3:	C[5]-4:C[5]-4:C-3:	C-3:C-4:C-4:	C(N[5]C[5]2)(NAg2)(NCC)	N[5](C[5]C[5]HH)2(CNN)	N(CN[5]N)(CCHH)2	C(N[5]C[5]2)(NAg2)(NCC)	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	N(CN[5]N)(CCHH)2	110.0970	0.000	1	110.0970	0.000	1	110.5373	0.088	4	110.5373	0.088	4	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP2_SP3	C	N[5]	N	3:3:3:	4:4:3:	3:4:4:	N[5]-3:N-3:N-3:	C[5]-4:C[5]-4:C-3:	C-3:C-4:C-4:	C(N[5]C[5]2)(NCu2)(NCC)	N[5](C[5]C[5]HH)2(CNN)	N(CN[5]N)(CCHH)2	C(N[5]C[5]2)(NCu2)(NCC)	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	N(CN[5]N)(CCHH)2	110.6840	0.047	3	110.6840	0.002	3	110.5373	0.088	4	110.5373	0.088	4	114.4916	7.373	17	114.7743	7.287	19
930	542	956	0:SP2_SP3_SP3	C	N[5]	N	3:3:1:	4:4:3:	3:4:4:	N[5]-3:N-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C-3:C-4:C-4:	C(N[5]C[5,6]C[5])(NCC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	N(CN[5]O)(CH3)2	C(N[5]C[5,6]C[5])(NCC)(O)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){1|C<3>,1|C<4>,4|H<1>}	N(CN[5]O)(CH3)2	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1
930	542	977	0:SP2_SP-NON_SP2	C	N[5,5]	S	3:3:1:	4:4:3:	3:	N[5,5]-3:C[6a]-3:S-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(S)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S)	S(CN[5,5]C[6a])	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(S)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S){8|H<1>}	S(CN[5,5]C[6a])	123.9368	0.774	5	123.9368	0.599	5	123.9368	0.599	5	123.9368	0.599	5	123.9368	0.599	5	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	3:2:3:	3:	N[5]-3:S-2:S-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CSS)	S(CN[5]S)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CSS){1|C<4>,1|N<2>}	S(CN[5]S)	123.8840	0.829	2	123.8840	0.687	2	123.8840	0.687	2	123.8840	0.687	2	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	3:3:3:	3:	N[5]-3:S-2:S-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5]N[5])(SZn)(S)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CSS)	S(CN[5]S)	C(N[5]C[5]N[5])(SZn)(S)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CSS){1|C<4>,1|H<1>}	S(CN[5]S)	120.9168	0.554	6	120.9168	0.307	6	120.9168	0.307	6	120.9168	0.307	6	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	4:2:3:	3:	N[5]-3:S-2:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS)	S(CN[5]S)	C(N[5]C[5]N[5])(SC)(S)	N[5](C[5]C[5]2H)(N[5]C[5])(CSS){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	S(CN[5]S)	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS)	S(CN[5]S)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS){4|H<1>}	S(CN[5]S)	125.1090	0.000	1	125.1090	0.000	1	124.4370	1.273	13	124.4370	1.273	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)	C(N[5]C[5]2)(SC)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CN[5]S)	123.6723	0.451	8	123.6723	0.204	8	124.4370	1.273	13	124.4370	1.273	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS){3|H<1>}	S(CN[5]S)	126.2665	0.558	2	125.7985	0.437	4	124.4370	1.273	13	124.4370	1.273	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:2:1:	4:4:3:	3:	N[5]-3:S-2:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS)	S(CN[5]S)	C(N[5]C[5]2)(SS)(S)	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	S(CN[5]S)	125.3305	0.350	2	125.7985	0.437	4	124.4370	1.273	13	124.4370	1.273	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	3:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]O)(N[5]C[5])(CNS){1|C<4>,1|N<2>}	S(CN[5]N)	122.0230	0.491	7	122.0230	0.241	7	121.9512	0.345	9	121.9512	0.345	9	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	3:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]N[5]N)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]N[5]N)(N[5]C[5])(CNS){1|H<1>,1|N<3>}	S(CN[5]N)	121.7000	1.072	2	121.7000	1.149	2	121.9512	0.345	9	121.9512	0.345	9	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	3:3:3:	3:	N[5]-3:N-3:S-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(N[5]C[5,6a]C[5])(NCC)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	S(CN[5]N)	C(N[5]C[5,6a]C[5])(NCC)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	S(CN[5]N)	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N-3:S-1:	C[5,6]-3:C[5]-4:C-3:	C-3:	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS)	S(CN[5]N)	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CNS){2|C<3>,2|H<1>}	S(CN[5]N)	118.3060	0.000	2	118.3060	0.000	2	118.3060	0.000	2	119.9560	8.168	3	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	3:4:3:	3:	N[5]-3:N[5]-3:S-1:	C[5,5]-3:C[5]-4:C-3:	C-3:	C(N[5]C[5,5]C[5])2(S)	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]S)	S(CN[5]2)	C(N[5]C[5,5]C[5])2(S)	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]S){1|C<3>,1|S<2>,2|H<1>}	S(CN[5]2)	123.2560	0.000	1	123.2560	0.000	1	123.2560	0.000	1	119.9560	8.168	3	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	S(CN[5]N)	120.7310	0.000	1	120.7310	0.000	1	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS){1|O<2>,2|C<3>,2|H<1>}	S(CN[5]N)	120.7230	0.000	1	120.7230	0.000	1	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NCH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	S(CN[5]N)	121.0375	0.395	2	121.0375	0.156	2	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CNS){1|C<4>,1|H<1>,3|C<3>}	S(CN[5]N)	121.4890	0.000	1	121.4890	0.000	1	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	S(CN[5]N)	120.5985	0.482	2	120.5985	0.232	2	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5,6]CC)(N[5]C[5,6])(CNS){1|H<1>,2|C<4>}	S(CN[5]N)	123.4720	0.000	1	123.4720	0.000	1	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]CO)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[5]CO)(N[5]C[5])(CNS){1|C<4>,2|H<1>}	S(CN[5]N)	121.6750	0.000	1	121.6750	0.000	1	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CNS){2|H<1>,3|C<3>}	S(CN[5]N)	121.2626	0.670	14	121.2626	0.449	14	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:2:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS)	S(CN[5]N)	C(N[5]C[5]N[5])(NHH)(S)	N[5](C[5]C[6a]C[5]O)(N[5]C[5])(CNS){1|C<4>,2|C<3>,2|H<1>}	S(CN[5]N)	122.1820	0.000	1	122.1820	0.000	1	121.3008	0.595	24	121.3008	0.595	24	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N-3:S-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(N[5]C[5,5]N[5])(NCH)(S)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS)	S(CN[5]N)	C(N[5]C[5,5]N[5])(NCH)(S)	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(CNS){1|C<3>,2|C<4>,4|H<1>}	S(CN[5]N)	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	120.0670	0.504	2	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:3:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]CH)(C[5]O[5]S)(CNS){1|C<3>,1|H<1>}	S(CN[5]N)	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	120.0670	0.504	2	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	C[6a]-3:N[5]-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S)	S(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S){4|H<1>}	S(CC[6a]N[5])	122.5720	0.000	1	122.5720	0.000	1	123.2473	0.554	7	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	C[6a]-3:N[5]-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	N[5](C[5]C[5]HH)2(CC[6a]S)	S(CC[6a]N[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(S)	N[5](C[5]C[5]HH)2(CC[6a]S){4|H<1>}	S(CC[6a]N[5])	123.3598	0.748	6	123.3598	0.559	6	123.2473	0.554	7	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NCH)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	S(CN[5]N)	123.6942	1.072	8	123.6942	1.149	8	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NC[6]H)(S)	N[5](C[5]C[5]HH)2(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NC[6]H)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	S(CN[5]N)	121.7410	0.000	1	121.7410	0.000	1	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[5]HH)2(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	S(CN[5]N)	122.1440	0.000	1	122.1440	0.000	1	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NC[6a]H)(S)	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS){1|C<4>,2|H<1>,3|C<3>}	S(CN[5]N)	122.2800	0.000	1	122.2800	0.000	1	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NHH)(S)	N[5](C[5]C[5,6a]HO)2(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NHH)(S)	N[5](C[5]C[5,6a]HO)2(CNS){2|C<3>}	S(CN[5]N)	121.7810	0.000	1	121.7810	0.000	1	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NHN)(S)	N[5](C[5]C[5]HH)2(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NHN)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	S(CN[5]N)	123.6626	0.166	5	123.6626	0.028	5	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:3:1:	4:4:3:	3:	N[5]-3:N-3:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(NHP)(S)	N[5](C[5]C[5]HH)2(CNS)	S(CN[5]N)	C(N[5]C[5]2)(NHP)(S)	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	S(CN[5]N)	122.6170	0.000	1	122.6170	0.000	1	123.2461	1.034	18	123.2464	0.871	25	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:4:1:	4:4:3:	3:	N[5]-3:C-4:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC3)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	S(CN[5]C)	C(N[5]C[5]2)(CC3)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){4|H<1>}	S(CN[5]C)	118.6960	0.075	2	118.6960	0.006	2	121.5259	2.500	13	121.5259	2.500	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:4:1:	4:4:3:	3:	N[5]-3:C-4:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CC3)(S)	N[5](C[5]C[6a]C[5]H)2(CCS)	S(CN[5]C)	C(N[5]C[5]2)(CC3)(S)	N[5](C[5]C[6a]C[5]H)2(CCS){4|C<3>,4|H<1>}	S(CN[5]C)	119.4320	0.000	1	119.4320	0.000	1	121.5259	2.500	13	121.5259	2.500	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:4:1:	4:4:3:	3:	N[5]-3:C-4:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCHH)(S)	N[5](C[5]C[5]2H)2(CCS)	S(CN[5]C)	C(N[5]C[5]2)(CCHH)(S)	N[5](C[5]C[5]2H)2(CCS){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	S(CN[5]C)	123.2140	0.000	1	123.2140	0.000	1	121.5259	2.500	13	121.5259	2.500	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:4:1:	4:4:3:	3:	N[5]-3:C-4:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CCHN)(S)	N[5](C[5]C[6a]C[5]H)2(CCS)	S(CN[5]C)	C(N[5]C[5]2)(CCHN)(S)	N[5](C[5]C[6a]C[5]H)2(CCS){4|C<3>,4|H<1>}	S(CN[5]C)	123.1900	0.000	1	123.1900	0.000	1	121.5259	2.500	13	121.5259	2.500	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:4:1:	4:4:3:	3:	N[5]-3:C-4:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CH3)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	S(CN[5]C)	C(N[5]C[5]2)(CH3)(S)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){1|O<2>,3|H<1>}	S(CN[5]C)	121.9913	0.402	6	121.9913	0.162	6	121.5259	2.500	13	121.5259	2.500	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP2	C	N[5]	S	3:4:1:	4:4:3:	3:	N[5]-3:C-4:S-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(N[5]C[5]2)(CH3)(S)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS)	S(CN[5]C)	C(N[5]C[5]2)(CH3)(S)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS){1|C<3>,2|H<1>}	S(CN[5]C)	122.3305	0.753	2	122.3305	0.567	2	121.5259	2.500	13	121.5259	2.500	13	122.2401	2.800	99	122.3216	2.820	104
930	542	977	0:SP2_SP-NON_SP3	C	N[5,5]	S	3:3:1:	4:4:3:	3:	N[5,5]-3:C[6a]-3:S-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(S)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S)	S(CN[5,5]C[6a])	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(S)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S){8|H<1>}	S(CN[5,5]C[6a])	123.0867	0.794	3	123.0867	0.631	3	123.0867	0.631	3	123.0867	0.631	3	123.0867	0.631	3	123.0867	0.631	3
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:2:1:	4:3:3:	3:3:	N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH)	C(CN[5]H)(CHH)	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCH){2|H<1>}	C(CN[5]H)(CHH)	126.5660	0.000	1	126.5660	0.000	1	125.3200	3.105	2	125.3200	3.105	2	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:2:1:	4:3:3:	3:3:	N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-3:	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH)	C(CN[5]H)(CCH)	C(N[5]C[5]2)(CC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCH){2|C<3>,2|H<1>}	C(CN[5]H)(CCH)	124.0740	0.000	1	124.0740	0.000	1	125.3200	3.105	2	125.3200	3.105	2	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:2:1:	4:4:3:	3:2:	N[5]-3:C-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CN[5]O)(CI)	C(N[5]C[5]2)(CC)(O)	N[5](C[5]C[5]HH)2(CCO){2|H<1>}	C(CN[5]O)(CI)	116.5700	0.000	1	116.5700	0.000	1	116.4185	0.997	4	116.4185	0.997	4	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:2:1:	4:4:3:	3:2:	N[5]-3:C-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CN[5]O)(CPd)	C(N[5]C[5]2)(CC)(O)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C(CN[5]O)(CPd)	117.0115	0.689	2	117.0115	0.475	2	116.4185	0.997	4	116.4185	0.997	4	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:2:1:	4:4:3:	3:2:	N[5]-3:C-2:O-1:	C[5]-4:C[5]-4:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(O)	N[5](C[5]C[5]HH)2(CCO)	C(CN[5]O)(CPt)	C(N[5]C[5]2)(CC)(O)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C(CN[5]O)(CPt)	115.0810	0.000	1	115.0810	0.000	1	116.4185	0.997	4	116.4185	0.997	4	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:2:2:	4:4:3:	3:2:	N[5]-3:C-2:O-2:	C[5]-4:C[5]-4:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC)(OC)	N[5](C[5]C[5]HH)2(CCO)	C(CN[5]O)(CAu)	C(N[5]C[5]2)(CC)(OC)	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C(CN[5]O)(CAu)	123.5250	1.140	2	123.5250	1.299	2	123.5250	1.299	2	123.5250	1.299	2	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:3:2:	3:2:3:	3:1:	N[5]-3:C-3:C-2:	C[5]-3:C[5]-2:C-3:	C-3:C-1:	C(N[5]C[5]2)(CNO)(CC)	N[5](C[5]C[5]O)(C[5]C[5])(CCC)	C(CN[5]C)(C)	C(N[5]C[5]2)(CNO)(CC)	N[5](C[5]C[5]O)(C[5]C[5])(CCC){1|C<2>}	C(CN[5]C)(C)	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:2:	N[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC[6a]Ge)(CC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCC)	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]Ge)(CC)	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCC){2|H<1>}	C(CN[5]C)(CC[6a])	115.0830	0.000	1	115.0830	0.000	1	114.9470	0.037	2	114.9470	0.037	2	118.6619	23.520	11	118.6619	23.520	11
930	542	983	0:SP2_SP1_SP2	C	N[5]	C	3:3:2:	4:3:3:	3:2:	N[5]-3:C-3:C-2:	C[5]-4:C[5]-3:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC[6a]H)(CC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCC)	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]H)(CC)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCC){2|H<1>}	C(CN[5]C)(CC[6a])	114.8110	0.000	1	114.8110	0.000	1	114.9470	0.037	2	114.9470	0.037	2	118.6619	23.520	11	118.6619	23.520	11
930	542	992	0:SP2_SP2_SP3	C	N[5]	P	3:3:4:	3:3:3:	3:3:3:3:	N[5]-3:N[5]-3:P-4:	N[5]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(N[5]C[5]N[5])2(PC[6a]2N)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]P)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CN[5]2)	C(N[5]C[5]N[5])2(PC[6a]2N)	N[5](N[5]C[5]Zn)(C[5]C[5]C)(CN[5]P){1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Zn)(CN[5]2)	112.0984	1.554	8	112.0984	2.415	8	112.0984	2.415	8	112.0984	2.415	8	112.0984	2.415	8	112.0984	2.415	8
930	562	930	0:SP2_SP2_SP3	C	Si[5]	C	4:3:1:	3:3:4:3:	3:3:1:	Si[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	123.7000	0.000	1	123.7000	0.000	1	124.8160	1.374	3	124.8160	1.374	3	123.3453	9.568	4	123.3453	9.568	4
930	562	930	0:SP2_SP2_SP3	C	Si[5]	C	4:3:1:	3:3:4:3:	3:3:1:	Si[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	124.7110	0.000	1	124.7110	0.000	1	124.8160	1.374	3	124.8160	1.374	3	123.3453	9.568	4	123.3453	9.568	4
930	562	930	0:SP2_SP2_SP3	C	Si[5]	C	4:3:1:	3:3:4:3:	3:3:1:	Si[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	C(C[6a]C[6a]2)(CSi[5]H)(H)	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	C(C[6a]C[6a]2)(CSi[5]H)(H)	126.0370	0.000	1	126.0370	0.000	1	124.8160	1.374	3	124.8160	1.374	3	123.3453	9.568	4	123.3453	9.568	4
930	562	930	0:SP2_SP2_SP3	C	Si[5]	C	4:3:1:	4:4:3:2:	4:3:1:	Si[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:N-2:	Si[5]-4:C-3:H-1:	C(Si[5]C[5]2N)(CSi[5]H)(H)	Si[5](C[5]C[5]Si2)2(CCH)(NC)	C(Si[5]C[5]2N)(CSi[5]H)(H)	C(Si[5]C[5]2N)(CSi[5]H)(H)	Si[5](C[5]C[5]Si2)2(CCH)(NC){4|H<1>}	C(Si[5]C[5]2N)(CSi[5]H)(H)	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	123.3453	9.568	4	123.3453	9.568	4
930	562	951	0:SP2_SP-NON_SP3	C	Si[5]	H	4:1:1:	3:4:4:3:	3:	Si[5]-4:H-1:H-1:	P[5]-3:C[5]-4:C-4:C-3:	C-3:	C(Si[5]C[5]P[5]C)(H)2	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH)	H(CSi[5]H)	C(Si[5]C[5]P[5]C)(H)2	Si[5](P[5]Si[5]Ba)(C[5]C[5]HH)(CH3)(CHH){2|C<4>,2|H<1>}	H(CSi[5]H)	111.8780	4.130	2	111.8780	17.053	2	111.8780	17.053	2	111.8780	17.053	2	115.9998	14.315	6	115.9998	14.315	6
930	562	951	0:SP2_SP-NON_SP3	C	Si[5]	H	4:3:1:	3:3:4:3:	3:	Si[5]-4:C-3:H-1:	C[5]-3:C[5]-3:C-4:C-3:	C-3:	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH)	H(CSi[5]C)	C(Si[5]C[5]2C)(CC[6a]H)(H)	Si[5](C[5]C[6a]C[5])2(CH3)(CCH){6|C<3>}	H(CSi[5]C)	117.5680	0.566	3	117.5680	0.321	3	117.5680	0.321	3	117.5680	0.321	3	115.9998	14.315	6	115.9998	14.315	6
930	562	951	0:SP2_SP-NON_SP3	C	Si[5]	H	4:3:1:	4:4:3:2:	3:	Si[5]-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:N-2:	C-3:	C(Si[5]C[5]2N)(CSi[5]H)(H)	Si[5](C[5]C[5]Si2)2(CCH)(NC)	H(CSi[5]C)	C(Si[5]C[5]2N)(CSi[5]H)(H)	Si[5](C[5]C[5]Si2)2(CCH)(NC){4|H<1>}	H(CSi[5]C)	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	115.9998	14.315	6	115.9998	14.315	6
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6a]-3:C-3:B-4:	O[5]-3:C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(CC[6a]Te)(BO[5]CO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	119.8995	0.746	2	119.8995	0.557	2	119.8995	0.557	2	119.8995	0.557	2	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:B-4:N-3:	C-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)(BF3)(NCC)	B(CC[6a]N)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CBN)	C(C[6a]C[6a,6a]2)(BF3)(NCC)	B(CC[6a]N)(F)3	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CBN){2|H<1>,5|C<3>}	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	110.5890	0.000	1	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	108.3950	0.000	1	108.3950	0.000	1	110.8533	6.208	3	112.5392	8.092	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	112.0825	1.831	2	112.0825	3.351	2	110.8533	6.208	3	112.5392	8.092	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	115.4430	1.201	2	115.4430	1.442	2	113.5508	7.647	5	112.5392	8.092	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	112.8360	0.000	1	112.8360	0.000	1	113.5508	7.647	5	112.5392	8.092	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	114.9110	0.000	1	114.9110	0.000	1	113.5508	7.647	5	112.5392	8.092	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	109.1210	0.000	1	109.1210	0.000	1	113.5508	7.647	5	112.5392	8.092	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	119.5220	1.037	2	119.5220	1.075	2	119.5220	1.075	2	117.0430	5.909	5	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	117.0430	5.909	5	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:I-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2I)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2I)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(ITe)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	114.2150	0.000	1	114.2150	0.000	1	114.2150	0.000	1	117.0430	5.909	5	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2O)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2O)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	117.0430	5.909	5	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	113.6960	0.000	1	113.6960	0.000	1	118.1130	4.682	8	118.1130	4.682	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	118.7843	1.680	4	118.7843	2.822	4	118.1130	4.682	8	118.1130	4.682	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	117.8620	0.000	1	117.8620	0.000	1	118.1130	4.682	8	118.1130	4.682	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]Te)	B(C[6a]C[6a]2)2(CC[6a]C)(CTeC)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	119.1045	0.982	2	119.1045	0.965	2	118.1130	4.682	8	118.1130	4.682	8	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(CBC)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	112.7850	0.154	2	112.7850	0.024	2	113.3190	0.867	3	113.3190	0.867	3	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(CBC)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	114.3870	0.000	1	114.3870	0.000	1	113.3190	0.867	3	113.3190	0.867	3	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CBC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	121.1658	2.929	4	121.1658	8.581	4	121.1658	8.581	4	121.1167	4.474	7	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(CBC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	121.1580	1.007	2	121.1580	1.014	2	121.1580	1.014	2	121.1167	4.474	7	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	121.1167	4.474	7	116.6619	15.600	35	116.6619	15.600	35
930	610	643	0:SP2_SP2_SP3	C	B	C[6a]	4:3:3:	3:3:3:4:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]F)2(CBC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	116.6619	15.600	35	116.6619	15.600	35
930	610	818	0:SP2_SP2_SP3	C	B	C[5]	3:4:1:	3:3:3:3:	4:2:3:	C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH)	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH){1|H<1>,1|N<3>}	129.5190	0.000	1	129.3940	0.031	2	129.8560	0.601	4	129.8560	0.601	4	128.5023	16.160	6	128.5023	16.160	6
930	610	818	0:SP2_SP2_SP3	C	B	C[5]	3:4:1:	3:3:3:3:	4:2:3:	C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH)	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH){2|C<4>}	129.2690	0.000	1	129.3940	0.031	2	129.8560	0.601	4	129.8560	0.601	4	128.5023	16.160	6	128.5023	16.160	6
930	610	818	0:SP2_SP2_SP3	C	B	C[5]	3:4:1:	3:3:3:3:	4:2:3:	C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(CBH)	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](C[5]O[5]HH)(O[5]C[5])(CBH){1|N<3>}	130.3180	0.957	2	130.3180	0.917	2	129.8560	0.601	4	129.8560	0.601	4	128.5023	16.160	6	128.5023	16.160	6
930	610	818	0:SP2_SP2_SP3	C	B	C[5]	3:4:1:	3:3:3:3:	4:4:3:	C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	P[5]-4:Si[5]-4:C-3:	C(C[5]Si[5]P[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH)	C(C[5]Si[5]P[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH){1|C<4>,5|C<3>}	131.1340	0.000	1	131.1340	0.000	1	131.1340	0.000	1	131.1340	0.000	1	128.5023	16.160	6	128.5023	16.160	6
930	610	818	0:SP2_SP2_SP3	C	B	C[5]	3:4:4:	3:3:3:1:	4:4:3:	C[5]-3:B-4:C-4:	C[6a]-3:C[6a]-3:C-3:H-1:	P[5]-4:P[5]-4:C-3:	C(C[5]P[5]2)(BC[6a]2H)(CH3)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[5](P[5]C[6a]2C[5])2(CBC)	C(C[5]P[5]2)(BC[6a]2H)(CH3)	B(C[6a]C[6a]2)2(CC[5]C)(H)	C[5](P[5]C[6a]2C[5])2(CBC){1|B<4>,1|H<1>,8|C<3>}	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	128.5023	16.160	6	128.5023	16.160	6
930	610	863	0:SP2_SP2_SP3	C	B	O	4:2:1:	3:1:1:1:	3:	B-4:O-2:O-1:	C-3:H-1:H-1:H-1:	C-3:	C(BH3)(OH)(O)	B(COO)(H)3	O(CBO)	C(BH3)(OH)(O)	B(COO)(H)3	O(CBO)	126.7150	0.000	1	126.7150	0.000	1	126.7150	0.000	1	126.7150	0.000	1	125.9260	14.721	6	125.9260	14.721	6
930	610	863	0:SP2_SP2_SP3	C	B	O	4:2:1:	3:3:3:3:	3:	B-4:O-2:O-1:	C[5]-3:C[5]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]C[5]2)(OB)(O)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	O(CBO)	C(BC[6a]C[5]2)(OB)(O)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	O(CBO)	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	125.9260	14.721	6	125.9260	14.721	6
930	610	863	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:1:1:	3:	B-4:O-2:O-1:	N-4:C-3:H-1:H-1:	C-3:	C(BHHN)(OH)(O)	B(NC[3x6]HH)(COO)(H)2	O(CBO)	C(BHHN)(OH)(O)	B(NC[3x6]HH)(COO)(H)2	O(CBO)	125.8490	0.000	1	125.8490	0.000	1	125.8490	0.000	1	128.0037	4.750	3	125.9260	14.721	6	125.9260	14.721	6
930	610	863	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:1:1:	3:	B-4:O-2:O-1:	N[3x6]-4:C-3:H-1:H-1:	C-3:	C(BN[3x6]HH)(OC[6a])(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(CBO)	C(BN[3x6]HH)(OC[6a])(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(CBO)	130.2070	0.000	1	130.2070	0.000	1	129.0810	2.536	2	128.0037	4.750	3	125.9260	14.721	6	125.9260	14.721	6
930	610	863	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:1:1:	3:	B-4:O-2:O-1:	N[3x6]-4:C-3:H-1:H-1:	C-3:	C(BN[3x6]HH)(OH)(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(CBO)	C(BN[3x6]HH)(OH)(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(CBO)	127.9550	0.000	1	127.9550	0.000	1	129.0810	2.536	2	128.0037	4.750	3	125.9260	14.721	6	125.9260	14.721	6
930	610	863	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:2:1:	3:	B-4:O-2:O-1:	P-4:C-3:C-2:H-1:	C-3:	C(BCHP)(OC)(O)	B(PC[6]3)(COO)(CN)(H)	O(CBO)	C(BCHP)(OC)(O)	B(PC[6]3)(COO)(CN)(H)	O(CBO)	126.0120	0.000	1	126.0120	0.000	1	126.0120	0.000	1	126.0120	0.000	1	125.9260	14.721	6	125.9260	14.721	6
930	610	880	0:SP2_SP3_SP3	C	B	Si	4:3:4:	3:3:1:1:	4:4:4:3:	B-4:C-3:Si-4:	C[5]-3:C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C(BC[5]HH)(CC[6a]H)(SiC3)	B(C[5]N[5]2)(CSiC)(H)2	Si(CH3)3(CBC)	C(BC[5]HH)(CC[6a]H)(SiC3)	B(C[5]N[5]2)(CSiC)(H)2	Si(CH3)3(CBC)	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	121.6417	71.993	3	121.6417	71.993	3
930	610	880	0:SP2_SP3_SP3	C	B	Si	4:4:2:	3:3:3:3:	4:4:4:3:	B-4:Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-4:C-3:	C(BC[6a]3)(SiC3)(CN)	B(C[6a]C[6a]2)3(CSiC)	Si(CH3)3(CBC)	C(BC[6a]3)(SiC3)(CN)	B(C[6a]C[6a]2)3(CSiC)	Si(CH3)3(CBC)	124.3710	0.000	1	124.3710	0.000	1	124.3710	0.000	1	124.3710	0.000	1	121.6417	71.993	3	121.6417	71.993	3
930	610	880	0:SP2_SP3_SP3	C	B	Si	4:4:3:	3:3:3:3:	4:4:4:3:	B-4:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C-4:C-4:C-4:C-3:	C(BC[6a]2C)(SiC3)(CZrC)	B(C[6a]C[6a]2)2(CSiC)(CZrC)	Si(CH3)3(CBC)	C(BC[6a]2C)(SiC3)(CZrC)	B(C[6a]C[6a]2)2(CSiC)(CZrC)	Si(CH3)3(CBC)	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	128.4260	0.000	1	121.6417	71.993	3	121.6417	71.993	3
930	610	893	0:SP2_SP2_SP3	C	B	O	4:2:1:	3:1:1:1:	3:1:	B-4:O-2:O-1:	C-3:H-1:H-1:H-1:	C-3:H-1:	C(BH3)(OH)(O)	B(COO)(H)3	O(CBO)(H)	C(BH3)(OH)(O)	B(COO)(H)3	O(CBO)(H)	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	116.4210	0.000	1	114.6558	4.930	6	114.6558	4.930	6
930	610	893	0:SP2_SP2_SP3	C	B	O	4:2:1:	3:3:3:3:	4:3:	B-4:O-2:O-1:	C[5]-3:C[5]-3:C[6a]-3:C-3:	B-4:C-3:	C(BC[6a]C[5]2)(OB)(O)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	O(BC3)(CBO)	C(BC[6a]C[5]2)(OB)(O)	B(C[5]N[5]O[5])2(C[6a]C[6a]2)(COO)	O(BC3)(CBO)	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	114.6558	4.930	6	114.6558	4.930	6
930	610	893	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:1:1:	3:1:	B-4:O-2:O-1:	N-4:C-3:H-1:H-1:	C-3:H-1:	C(BHHN)(OH)(O)	B(NC[3x6]HH)(COO)(H)2	O(CBO)(H)	C(BHHN)(OH)(O)	B(NC[3x6]HH)(COO)(H)2	O(CBO)(H)	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.4030	0.014	2	114.6558	4.930	6	114.6558	4.930	6
930	610	893	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:1:1:	3:1:	B-4:O-2:O-1:	N[3x6]-4:C-3:H-1:H-1:	C-3:H-1:	C(BN[3x6]HH)(OH)(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(CBO)(H)	C(BN[3x6]HH)(OH)(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(CBO)(H)	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	115.4030	0.014	2	114.6558	4.930	6	114.6558	4.930	6
930	610	893	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:1:1:	3:3:	B-4:O-2:O-1:	N[3x6]-4:C-3:H-1:H-1:	C[6a]-3:C-3:	C(BN[3x6]HH)(OC[6a])(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(C[6a]C[6a]2)(CBO)	C(BN[3x6]HH)(OC[6a])(O)	B(N[3x6]C[6,6]3)(COO)(H)2	O(C[6a]C[6a]2)(CBO)	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	111.1450	0.000	1	114.6558	4.930	6	114.6558	4.930	6
930	610	893	0:SP2_SP2_SP3	C	B	O	4:2:1:	4:3:2:1:	4:3:	B-4:O-2:O-1:	P-4:C-3:C-2:H-1:	C-4:C-3:	C(BCHP)(OC)(O)	B(PC[6]3)(COO)(CN)(H)	O(CH3)(CBO)	C(BCHP)(OC)(O)	B(PC[6]3)(COO)(CN)(H)	O(CH3)(CBO)	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	112.7760	0.000	1	114.6558	4.930	6	114.6558	4.930	6
930	610	902	0:SP2_SP2_SP3	C	B	C[3]	3:4:1:	3:3:3:3:	4:4:3:	C[3]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	N[3,6]-4:C[3]-4:C-3:	C(C[3]N[3,6]C[3])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[3]H)	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH)	C(C[3]N[3,6]C[3])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[3]H)	C[3](N[3,6]C[3]C[6]2)(C[3]N[3,6]HH)(CBH){6|C<4>}	126.7735	0.568	2	126.7735	0.322	2	126.7735	0.322	2	126.7735	0.322	2	126.7735	0.322	2	126.7735	0.322	2
930	610	909	0:SP2_SP2_SP3	C	B	S	4:2:3:	3:3:3:2:	3:3:	B-4:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C[6a]-3:C-3:	C(BC[6a]2N)(SC[6a])(CCH)	B(C[6a]C[6a]2)2(CCS)(NC)	S(C[6a]C[6a]2)(CBC)	C(BC[6a]2N)(SC[6a])(CCH)	B(C[6a]C[6a]2)2(CCS)(NC)	S(C[6a]C[6a]2)(CBC)	115.5500	0.000	1	115.5500	0.000	1	115.5500	0.000	1	115.5500	0.000	1	114.9645	0.686	2	114.9645	0.686	2
930	610	909	0:SP2_SP2_SP3	C	B	S	4:2:3:	3:3:3:3:	3:3:	B-4:S-2:C-3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C-3:	C(BC[6a]2N[6])(SC[6a])(CCH)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	S(C[6a]C[6a]2)(CBC)	C(BC[6a]2N[6])(SC[6a])(CCH)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	S(C[6a]C[6a]2)(CBC)	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	114.3790	0.000	1	114.9645	0.686	2	114.9645	0.686	2
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:1:	3:3:3:3:	3:3:3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	132.4760	0.000	1	132.4760	0.000	1	132.4760	0.000	1	132.3350	1.241	4	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:1:	3:3:3:3:	3:3:3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBH)	C(CC[5a]C[6a])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBH)	131.6450	0.000	1	131.6450	0.000	1	131.6450	0.000	1	132.3350	1.241	4	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:1:	3:3:3:3:	3:3:3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C(CC[6a]C[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	132.6095	1.754	2	132.6095	3.078	2	132.6095	3.078	2	132.3350	1.241	4	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:1:	3:3:3:3:	3:4:3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C-3:	C(CC[6a]C[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C(CC[6a]C[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	132.2430	0.000	1	132.2430	0.000	1	132.2430	0.000	1	132.2430	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:1:	3:3:4:3:	3:3:3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C[5]-3:C-3:	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CH3)(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CH3)(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	135.0630	0.000	1	135.0630	0.000	1	135.0630	0.000	1	135.0630	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C(C[6a]C[6a]2)2(CC[6a]B)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C(C[6a]C[6a]2)2(CC[6a]B)	130.7230	2.154	2	130.7230	4.639	2	130.7230	4.639	2	131.5127	4.190	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)2(CC[6a]B)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)2(CC[6a]B)	133.0920	0.000	1	133.0920	0.000	1	133.0920	0.000	1	131.5127	4.190	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:1:	3:4:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(CC[6a]B)(CC3)(H)	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:1:	3:4:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:F-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(F)	C(CC[6a]B)(CCHH)2	132.9070	0.000	1	132.9070	0.000	1	132.9070	0.000	1	127.9780	18.248	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:1:	3:4:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(CC[6a]B)(CCHH)2	125.5135	0.230	2	125.5135	0.053	2	125.5135	0.053	2	127.9780	18.248	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:1:	4:3:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	B(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[3]C[3]2H)(CC[6a]B)(H)	125.8640	0.000	1	125.8640	0.000	1	125.8640	0.000	1	125.8640	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	121.9410	0.628	2	121.9410	0.394	2	121.9410	0.394	2	123.7683	10.215	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:C-3:P-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	B(C[6a]C[6a]2)2(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	127.4230	0.000	1	127.4230	0.000	1	127.4230	0.000	1	123.7683	10.215	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:3:	3:4:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[6a]B)(CCHH)(H)	124.9845	0.821	2	124.9845	0.674	2	124.9845	0.674	2	124.9845	0.674	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:3:	3:4:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[6a]B)(CCHH)2	133.1720	0.000	1	133.1720	0.000	1	133.1720	0.000	1	133.1720	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	3:4:3:	3:3:3:3:	4:3:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[5]HH)(CC[6a]B)(H)	126.1765	1.544	2	126.1765	2.383	2	126.1765	2.383	2	126.1765	2.383	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:2:3:	3:3:3:2:	4:3:1:	B-4:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	C(BC[6a]2N)(SC[6a])(CCH)	B(C[6a]C[6a]2)2(CCS)(NC)	C(CC3)(CBS)(H)	C(BC[6a]2N)(SC[6a])(CCH)	B(C[6a]C[6a]2)2(CCS)(NC)	C(CC3)(CBS)(H)	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:2:3:	3:3:3:3:	4:3:1:	B-4:S-2:C-3:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C-4:C-3:H-1:	C(BC[6a]2N[6])(SC[6a])(CCH)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C(CC3)(CBS)(H)	C(BC[6a]2N[6])(SC[6a])(CCH)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCS)	C(CC3)(CBS)(H)	132.3860	0.000	1	132.3860	0.000	1	132.3860	0.000	1	132.3860	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:2:3:	3:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:C-3:	C[6a]-3:C-3:H-1:	C(BC[6a]2O)(CC[6a]H)(H)	B(C[6a]C[6a]2)2(ON[6])(CCH)	C(C[6a]C[6a]2)(CBH)(H)	C(BC[6a]2O)(CC[6a]H)(H)	B(C[6a]C[6a]2)2(ON[6])(CCH)	C(C[6a]C[6a]2)(CBH)(H)	125.4200	0.000	1	125.4200	0.000	1	125.4200	0.000	1	125.4200	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:1:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	N[6]-4:C-4:C-3:	C(BC[6a]2H)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	C(BC[6a]2H)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(H)	C(N[6]C[6]2H)(CCHH)(CBH)	129.2310	0.000	1	129.2310	0.000	1	129.2310	0.000	1	129.2310	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:2:	4:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-2:	P-4:C-3:H-1:	C(BC[6a]2O)(CHP)(H)	B(C[6a]C[6a]2)2(CCH)(OS)	C(PC[6a]2H)(CBH)(H)	C(BC[6a]2O)(CHP)(H)	B(C[6a]C[6a]2)2(CCH)(OS)	C(PC[6a]2H)(CBH)(H)	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	127.9870	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:2:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-2:	N[6]-4:C-4:C-3:	C(BC[6a]2C)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(CC)	C(N[6]C[6]2H)(CCHH)(CBH)	C(BC[6a]2C)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(CC)	C(N[6]C[6]2H)(CCHH)(CBH)	136.3880	0.000	1	136.3880	0.000	1	136.3880	0.000	1	135.0003	1.766	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:2:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-2:	N[6]-4:C-4:C-3:	C(BC[6a]2O)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(OC)	C(N[6]C[6]2H)(CCHH)(CBH)	C(BC[6a]2O)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(OC)	C(N[6]C[6]2H)(CCHH)(CBH)	134.3065	0.803	2	134.3065	0.644	2	134.3065	0.644	2	135.0003	1.766	3	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(BC[6a]3)(CC[6a]H)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CBH)(H)	C(BC[6a]3)(CC[6a]H)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CBH)(H)	130.8920	0.000	1	130.8920	0.000	1	130.8920	0.000	1	130.8920	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:3:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-3:C-3:	C(BC[6a]3)(CC[6a]B)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	C(BC[6a]3)(CC[6a]B)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	137.0860	0.000	1	137.0860	0.000	1	137.0860	0.000	1	131.9670	18.170	4	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:3:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(BC[6a]3)(CC[6a]S)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CBH)(SCC)	C(BC[6a]3)(CC[6a]S)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(CBH)(SCC)	130.2607	3.128	3	130.2607	9.785	3	130.2607	9.785	3	131.9670	18.170	4	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]2C)(CC[6a]P)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]2C)(CC[6a]P)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	131.7300	0.000	1	131.7300	0.000	1	131.7300	0.000	1	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	134.6205	1.190	2	134.6205	1.416	2	132.8141	6.541	9	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	129.3960	0.000	1	129.3960	0.000	1	132.8141	6.541	9	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	134.3090	0.000	1	134.3090	0.000	1	132.8141	6.541	9	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	131.2957	3.094	3	131.2957	9.576	3	132.8141	6.541	9	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	134.6310	0.000	1	134.6310	0.000	1	132.8141	6.541	9	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PCl2C)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	C(C[6a]C[6a]2)(PCl2C)(CBH)	133.8630	0.000	1	133.8630	0.000	1	132.8141	6.541	9	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	3:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:Si-4:C-3:	C(BC[6a]2N[6])(CC[6a]Si)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C(C[6a]C[6a]2)(SiC3)(CBH)	C(BC[6a]2N[6])(CC[6a]Si)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	C(C[6a]C[6a]2)(SiC3)(CBH)	126.7140	0.000	1	126.7140	0.000	1	126.7140	0.000	1	132.1610	8.602	11	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	4:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(BC[6a]3)(CHP)(H)	B(C[6a]C[6a]2)3(CCH)	C(PC3)(CBH)(H)	C(BC[6a]3)(CHP)(H)	B(C[6a]C[6a]2)3(CCH)	C(PC3)(CBH)(H)	127.0460	0.000	1	127.0460	0.000	1	127.0460	0.000	1	127.0460	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-4:P-4:C-3:	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[5]HH)(PC3)(CBH)	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[5]HH)(PC3)(CBH)	139.0780	0.000	1	139.0780	0.000	1	138.2505	1.370	2	136.3740	11.186	5	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-4:P-4:C-3:	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[5]HH)(PC[6a]3)(CBH)	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(CC[5]HH)(PC[6a]3)(CBH)	137.4230	0.000	1	137.4230	0.000	1	138.2505	1.370	2	136.3740	11.186	5	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	P-4:C-4:C-3:	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(PC[6a]3)(CCHH)(CBH)	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	C(PC[6a]3)(CCHH)(CBH)	136.8120	0.000	1	136.8120	0.000	1	136.8120	0.000	1	136.3740	11.186	5	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	N-4:C-4:C-3:	C(BC[6a]3)(CCN)(H)	B(C[6a]C[6a]2)3(CCH)	C(NC[6a]CC)(CCHH)(CBH)	C(BC[6a]3)(CCN)(H)	B(C[6a]C[6a]2)3(CCH)	C(NC[6a]CC)(CCHH)(CBH)	130.5800	0.000	1	130.5800	0.000	1	130.5800	0.000	1	136.3740	11.186	5	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:3:3:	4:4:3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	P-4:C-4:C-3:	C(BC[6a]3)(CCP)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C(PC[6a]3)(CCHH)(CBH)	C(BC[6a]3)(CCP)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	C(PC[6a]3)(CCHH)(CBH)	137.9770	0.000	1	137.9770	0.000	1	137.9770	0.000	1	136.3740	11.186	5	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:4:3:	3:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	C-3:C-3:H-1:	C(BC[6a]2C[6])(CCH)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C(CBH)(CCC)(H)	C(BC[6a]2C[6])(CCH)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	C(CBH)(CCC)(H)	128.2420	0.000	1	128.2420	0.000	1	128.2420	0.000	1	128.2420	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:4:3:	4:3:1:	B-4:C-3:H-1:	C[6a]-3:N[6]-3:C-4:C-3:	C-4:C-3:H-1:	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C(CC3)(CBH)(H)	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C(CC3)(CBH)(H)	127.4200	0.000	1	127.4200	0.000	1	127.3015	0.028	2	127.3015	0.028	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	3:3:4:3:	4:3:1:	B-4:C-3:H-1:	C[6a]-3:N[6]-3:C-4:C-3:	C-4:C-3:H-1:	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C(CCHH)(CBH)(H)	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	C(CCHH)(CBH)(H)	127.1830	0.000	1	127.1830	0.000	1	127.3015	0.028	2	127.3015	0.028	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	4:3:3:3:	4:3:1:	B-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(BC[6a]2C[5])(CCH)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C(CC3)(CBH)(H)	C(BC[6a]2C[5])(CCH)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	C(CC3)(CBH)(H)	126.6880	0.000	1	126.6880	0.000	1	126.6880	0.000	1	126.6880	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:1:	5:3:3:3:	4:3:3:	B-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	P-4:C[6a]-3:C-3:	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	134.4940	0.890	2	134.4940	0.791	2	134.4940	0.791	2	134.4940	0.791	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:1:1:	3:2:1:	B-4:C-3:C-3:	C[5]-3:C-3:H-1:H-1:	C-3:O-2:O-1:	C(BC[5]HH)(CCH)(COO)	B(C[5]N[5]2)(CCC)(H)2	C(CBC)(OC)(O)	C(BC[5]HH)(CCH)(COO)	B(C[5]N[5]2)(CCC)(H)2	C(CBC)(OC)(O)	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1	116.3670	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:1:1:	3:3:1:	B-4:C-3:C-3:	C[5]-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(BC[5]HH)(CCH)(COO)	B(C[5]N[5]2)(CCC)(H)2	C(CBC)(COO)(H)	C(BC[5]HH)(CCH)(COO)	B(C[5]N[5]2)(CCC)(H)2	C(CBC)(COO)(H)	129.8880	0.000	1	129.8880	0.000	1	129.8880	0.000	1	129.8880	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:1:	3:3:3:	B-4:C-3:C-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6a]-3:C-3:C-3:	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C(C[6a]C[6a]2)(CSiC)(CBC)	115.9190	0.000	1	115.9190	0.000	1	115.9190	0.000	1	115.9190	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:1:	3:4:4:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C-3:Si-4:C-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C(CC[6a]B)(SiC3)(CH3)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C(CC[6a]B)(SiC3)(CH3)	127.2400	0.000	1	127.2400	0.000	1	127.2400	0.000	1	127.2400	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:1:	4:3:4:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	C[6]-4:C-3:Si-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(Cl)	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	129.3765	0.153	2	129.3765	0.024	2	129.3765	0.024	2	129.3765	0.024	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:1:	4:4:3:	B-4:C-3:C-3:	C[6a]-3:N[6]-3:C-3:Cl-1:	Si-4:C-4:C-3:	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C(SiC3)(CH3)(CBC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCC)(Cl)	C(SiC3)(CH3)(CBC)	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	118.9270	1.168	2	118.9270	1.365	2	120.5435	3.965	4	121.0379	3.255	7	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	122.1600	0.281	2	122.1600	0.079	2	120.5435	3.965	4	121.0379	3.255	7	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	122.6390	0.167	2	122.6390	0.028	2	122.6390	0.028	2	121.0379	3.255	7	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	121.0379	3.255	7	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:3:	3:3:3:4:	3:4:4:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:C-4:	C-3:Si-4:C-4:	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C(CC[6a]B)(SiC3)(CH3)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(CH3)	C(CC[6a]B)(SiC3)(CH3)	127.6760	0.000	1	127.6760	0.000	1	127.6760	0.000	1	127.6760	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:4:	3:3:1:1:	3:3:1:	B-4:C-3:Si-4:	C[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(BC[5]HH)(CC[6a]H)(SiC3)	B(C[5]N[5]2)(CSiC)(H)2	C(C[6a]C[6a]2)(CSiB)(H)	C(BC[5]HH)(CC[6a]H)(SiC3)	B(C[5]N[5]2)(CSiC)(H)2	C(C[6a]C[6a]2)(CSiB)(H)	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:4:	3:3:3:2:	3:3:3:	B-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:P-3:C-3:	C(BC[6a]2C)(CC[6a]P)(CH3)	B(C[6a]C[6a]2)2(CCC)(CN)	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	C(BC[6a]2C)(CC[6a]P)(CH3)	B(C[6a]C[6a]2)2(CCC)(CN)	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	124.5440	0.000	1	124.5440	0.000	1	124.5440	0.000	1	124.5440	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:3:4:	3:3:3:2:	3:4:3:	B-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:C-2:	C[6a]-3:Si-4:C-3:	C(BC[6a]2C)(CC[6a]Si)(CCHH)	B(C[6a]C[6a]2)2(CCC)(CN)	C(C[6a]C[6a]2)(SiC3)(CBC)	C(BC[6a]2C)(CC[6a]Si)(CCHH)	B(C[6a]C[6a]2)2(CCC)(CN)	C(C[6a]C[6a]2)(SiC3)(CBC)	125.8380	0.000	1	125.8380	0.000	1	125.8380	0.000	1	125.8380	0.000	1	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:4:3:	3:3:3:1:	4:3:1:	B-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:F-1:	C-4:C-3:H-1:	C(BC[6a]2F)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(F)	C(CC3)(CBP)(H)	C(BC[6a]2F)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(F)	C(CC3)(CBP)(H)	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	123.6240	0.914	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:4:3:	3:3:3:1:	4:3:1:	B-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(BC[6a]2H)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(H)	C(CC3)(CBP)(H)	C(BC[6a]2H)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(H)	C(CC3)(CBP)(H)	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	123.6240	0.914	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:4:3:	3:3:3:3:	4:3:2:	B-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-2:	C(BC[6a]3)(CCHH)(CCP)	B(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CBC)(CC)	C(BC[6a]3)(CCHH)(CCP)	B(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CBC)(CC)	119.2230	0.000	1	119.2230	0.000	1	123.3080	33.374	2	123.3080	33.374	2	128.6099	28.661	80	128.6099	28.661	80
930	610	930	0:SP2_SP2_SP3	C	B	C	4:4:3:	3:3:3:3:	4:3:2:	B-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-2:	C(BC[6a]3)(CH3)(CCP)	B(C[6a]C[6a]2)3(CCC)	C(PCCH)(CBC)(CC)	C(BC[6a]3)(CH3)(CCP)	B(C[6a]C[6a]2)3(CCC)	C(PCCH)(CBC)(CC)	127.3930	0.000	1	127.3930	0.000	1	123.3080	33.374	2	123.3080	33.374	2	128.6099	28.661	80	128.6099	28.661	80
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	113.7930	0.000	1	113.7930	0.000	1	113.7930	0.000	1	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[5a]C[6a])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(CC[5a]C[6a])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	114.1080	0.000	1	114.1080	0.000	1	113.8508	0.302	4	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(CC[6a]C[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	113.6820	0.881	2	113.6820	0.776	2	113.8508	0.302	4	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(CC[6a]C[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	113.9310	0.000	1	113.9310	0.000	1	113.8508	0.302	4	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C[3]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[3]N[3,6]C[3])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[3]H)	H(CC[3]B)	C(C[3]N[3,6]C[3])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[3]H)	H(CC[3]B)	116.6280	0.281	2	116.6280	0.079	2	116.6280	0.079	2	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	H(CC[5]B)	C(C[5]C[5]O[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	H(CC[5]B)	115.0648	0.381	4	115.0648	0.145	4	114.9332	0.195	5	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:3:3:	3:	C[5]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]Si[5]P[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	H(CC[5]B)	C(C[5]Si[5]P[5])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(CC[5]H)	H(CC[5]B)	114.4070	0.000	1	114.4070	0.000	1	114.9332	0.195	5	114.7598	1.194	12	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	3:3:4:3:	3:	C-3:B-4:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CH3)(CCH)	H(CBC)	C(CC[6a]C[5])(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CH3)(CCH)	H(CBC)	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	112.4900	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	4:4:3:3:	3:	N-3:B-4:H-1:	C[6]-4:C[6]-4:O-3:C-3:	C-3:	C(NC[6a]Pt)(BC[6]2O)(H)	B(C[6]C[6]2H)2(OPtC)(CHN)	H(CBN)	C(NC[6a]Pt)(BC[6]2O)(H)	B(C[6]C[6]2H)2(OPtC)(CHN)	H(CBN)	118.0780	0.000	1	118.0780	0.000	1	118.0780	0.000	1	118.0780	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	3:4:1:	4:4:4:3:	3:	N-3:B-4:H-1:	C[6]-4:C[6]-4:N-4:C-3:	C-3:	C(NC[6a]Pt)(BC[6]2N)(H)	B(C[6]C[6]2H)2(NC[6a]PtH)(CHN)	H(CBN)	C(NC[6a]Pt)(BC[6]2N)(H)	B(C[6]C[6]2H)2(NC[6a]PtH)(CHN)	H(CBN)	118.1980	0.000	1	118.1980	0.000	1	118.1980	0.000	1	118.1980	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:2:1:	3:3:3:1:	3:	B-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:	C(BC[6a]2H)(OZr)(H)	B(C[6a]C[6a]2)2(CHO)(H)	H(CBO)	C(BC[6a]2H)(OZr)(H)	B(C[6a]C[6a]2)2(CHO)(H)	H(CBO)	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:2:1:	3:3:3:3:	3:	B-4:C-2:H-1:	N[5]-3:N[5]-3:N[5]-3:C-3:	C-3:	C(BN[5]3)(CC)(H)	B(N[5]C[5]N[5])3(CCH)	H(CBC)	C(BN[5]3)(CC)(H)	B(N[5]C[5]N[5])3(CCH)	H(CBC)	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:2:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:O-2:C-3:	C-3:	C(BC[6a]2O)(CC[6a]H)(H)	B(C[6a]C[6a]2)2(ON[6])(CCH)	H(CBC)	C(BC[6a]2O)(CC[6a]H)(H)	B(C[6a]C[6a]2)2(ON[6])(CCH)	H(CBC)	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:1:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:	C(BC[6a]2H)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(H)	H(CBC)	C(BC[6a]2H)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(H)	H(CBC)	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	115.3790	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:2:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-2:	C-3:	C(BC[6a]2C)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(CC)	H(CBC)	C(BC[6a]2C)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(CC)	H(CBC)	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	113.3768	3.379	4	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:2:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-3:	C(BC[6a]2O)(CHP)(H)	B(C[6a]C[6a]2)2(CCH)(OS)	H(CBC)	C(BC[6a]2O)(CHP)(H)	B(C[6a]C[6a]2)2(CCH)(OS)	H(CBC)	116.0270	0.000	1	116.0270	0.000	1	113.8870	3.507	3	113.3768	3.379	4	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:2:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-3:	C(BC[6a]2O)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(OC)	H(CBC)	C(BC[6a]2O)(CN[6]C)(H)	B(C[6a]C[6a]2)2(CCH)(OC)	H(CBC)	112.8170	0.379	2	112.8170	0.144	2	113.8870	3.507	3	113.3768	3.379	4	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	C(BC[6a]2C)(CCP)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	111.1210	0.602	3	111.1210	0.362	3	113.0336	8.599	5	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(BC[6a]2C)(CC[6a]P)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	C(BC[6a]2C)(CC[6a]P)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	114.1370	0.000	1	114.1370	0.000	1	113.0336	8.599	5	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C-3:	C(BC[6a]2C)(CC[6a]Te)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	C(BC[6a]2C)(CC[6a]Te)(H)	B(C[6a]C[6a]2)2(CC[6a]C)(CCH)	H(CBC)	117.6680	0.000	1	117.6680	0.000	1	113.0336	8.599	5	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CCN)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(BC[6a]3)(CCN)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	114.6680	0.000	1	114.6680	0.000	1	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CCP)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	H(CBC)	C(BC[6a]3)(CCP)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	H(CBC)	111.0490	0.000	1	111.0490	0.000	1	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CC[6a]B)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(BC[6a]3)(CC[6a]B)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	110.9920	0.000	1	110.9920	0.000	1	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CC[6a]H)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(BC[6a]3)(CC[6a]H)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	115.3440	0.000	1	115.3440	0.000	1	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCH)	H(CBC)	112.6825	0.544	2	112.6825	0.296	2	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(BC[6a]3)(CC[6a]P)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	113.8533	1.346	7	113.8533	1.811	7	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CC[6a]S)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(BC[6a]3)(CC[6a]S)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	114.8660	1.545	3	114.8660	2.387	3	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]3)(CHP)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	C(BC[6a]3)(CHP)(H)	B(C[6a]C[6a]2)3(CCH)	H(CBC)	111.2280	0.000	1	111.2280	0.000	1	113.5422	2.871	17	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:C-3:	C-3:	C(BC[6a]2N[6])(CC[6a]Si)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	H(CBC)	C(BC[6a]2N[6])(CC[6a]Si)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(CCH)	H(CBC)	116.6400	0.000	1	116.6400	0.000	1	116.6400	0.000	1	113.5663	4.146	23	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	C-3:	C(BC[6a]2C[6])(CCH)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	H(CBC)	C(BC[6a]2C[6])(CCH)(H)	B(C[6a]C[6a]2)2(C[6]C[6]2H)(CCH)	H(CBC)	115.8530	0.000	1	115.8530	0.000	1	115.8530	0.000	1	116.1987	0.090	3	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:3:4:3:	3:	B-4:C-3:H-1:	C[6a]-3:N[6]-3:C-4:C-3:	C-3:	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	H(CBC)	C(BC[6a]N[6]C)(CCH)(H)	B(C[6a]C[6a]2)(N[6]C[6]2)(CCHH)(CCH)	H(CBC)	116.3715	0.029	2	116.3715	0.001	2	116.3715	0.001	2	116.1987	0.090	3	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	3:4:4:3:	3:	B-4:S-3:H-1:	C[6a]-3:C-4:C-4:C-3:	C-3:	C(BC[6a]CC)(SFeC)(H)	B(C[6a]C[6a]2)(CHHS)2(CHS)	H(CBS)	C(BC[6a]CC)(SFeC)(H)	B(C[6a]C[6a]2)(CHHS)2(CHS)	H(CBS)	120.8290	0.000	1	120.8290	0.000	1	120.8290	0.000	1	120.8290	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	4:3:3:3:	3:	B-4:C-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[6a]2C[5])(CCH)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	H(CBC)	C(BC[6a]2C[5])(CCH)(H)	B(C[5]C[5]P[5]H)(C[6a]C[6a]2)2(CCH)	H(CBC)	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	114.5098	4.802	53	114.5098	4.802	53
930	610	951	0:SP2_SP-NON_SP3	C	B	H	4:3:1:	5:3:3:3:	3:	B-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	C-3:	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	H(CBC)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CCH)	H(CBC)	112.7400	0.491	2	112.7400	0.241	2	112.7400	0.241	2	112.7400	0.241	2	114.5098	4.802	53	114.5098	4.802	53