956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:3:4:	3:3:2:	3:4:2:2:	C[6a]-3:C[6]-3:Si-4:	C[6]-3:N-3:C[6]-2:	N-3:C-4:C-2:O-2:	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	Si(NC[6a]C[6])(CH3)(CH)(OC)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6]){1|C<2>,1|H<1>}	Si(NC[6a]C[6])(CH3)(CH)(OC)	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:N-3:	N-3:Br-1:Br-1:Br-1:	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	Si(NC[6a]C[6])(Br)3	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	Si(NC[6a]C[6])(Br)3	127.6490	0.000	1	127.6490	0.000	1	127.6490	0.000	1	127.6490	0.000	1	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH)	Si(NC[6]H)(CH3)3	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH){1|C<3>,1|C<4>,1|H<1>}	Si(NC[6]H)(CH3)3	129.4450	0.000	1	129.4450	0.000	1	130.1466	0.469	5	130.1466	0.469	5	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	Si(NC[6]H)(CH3)3	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	Si(NC[6]H)(CH3)3	130.3220	0.648	4	130.3220	0.420	4	130.1466	0.469	5	130.1466	0.469	5	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:1:	3:3:3:	4:3:4:4:	C[6]-3:Si-4:H-1:	N[5,6]-3:C[6]-3:N-3:	C[5]-4:N-3:C-4:C-4:	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH)	Si(C[5]C[5,6a]2H)(NC[6]H)(CH3)2	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH){1|H<1>,2|C<4>,3|C<3>}	Si(C[5]C[5,6a]2H)(NC[6]H)(CH3)2	129.5770	0.000	1	129.5770	0.000	1	129.5770	0.000	1	129.5770	0.000	1	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:4:4:	3:3:3:	3:4:4:1:	C[6]-3:Si-4:Si-4:	N[6]-3:C[6]-3:N-3:	N-3:C-4:C-4:H-1:	N(C[6]C[6]N[6])(SiRuCC)(SiCCH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2)	Si(NC[6]Si)(CH3)2(H)	N(C[6]C[6]N[6])(SiRuCC)(SiCCH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2){1|C<3>,2|H<1>}	Si(NC[6]Si)(CH3)2(H)	121.7610	0.140	2	121.7610	0.020	2	121.7610	0.020	2	121.7610	0.020	2	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	3:5:4:	3:3:3:	3:4:4:1:	C[6]-3:Si-5:Si-4:	N[6]-3:C[6]-3:N-3:	N-3:C-4:C-4:H-1:	N(C[6]C[6]N[6])(SiRuCCH)(SiCCH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2)	Si(NC[6]Si)(CH3)2(H)	N(C[6]C[6]N[6])(SiRuCCH)(SiCCH)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2){1|C<3>,2|H<1>}	Si(NC[6]Si)(CH3)2(H)	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP2_SP2_SP3	N	C[6]	Si	4:3:4:	3:3:3:	3:4:4:4:	B[4]-4:C[6]-3:Si-4:	N[4,6]-3:C[6]-3:N-3:	N-3:C-4:C-4:C-4:	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si)	Si(NB[4]C[6])(CH3)3	N(B[4]N[4,6]N[4]Cl)(C[6]N[4,6]C[6])(SiC3)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	Si(NB[4]C[6])(CH3)3	117.7977	0.594	3	117.7977	0.353	3	117.7977	0.353	3	117.7977	0.353	3	125.0604	27.051	14	125.0604	27.051	14
956	762	880	0:SP3_SP2_SP3	N	C[6]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	Si(NC[6]H)(CH3)3	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	Si(NC[6]H)(CH3)3	128.8880	0.000	1	128.8880	0.000	1	128.8880	0.000	1	128.8880	0.000	1	128.8880	0.000	1	128.8880	0.000	1
956	762	892	0:SP3_SP2_SP3	N	C[6]	N	3:4:1:	3:2:3:	3:1:1:1:	C[6]-3:N-4:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6,6a]N[6])(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	N(NC[6]H)(H)3	N(C[6]C[6,6a]N[6])(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	N(NC[6]H)(H)3	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	115.7860	20.060	2	115.7860	20.060	2
956	762	892	0:SP3_SP2_SP3	N	C[6]	N	3:4:1:	3:3:3:	3:1:1:1:	C[6]-3:N-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6]N[6])(NH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	N(NC[6]H)(H)3	N(C[6]C[6]N[6])(NH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	N(NC[6]H)(H)3	118.9530	0.000	1	118.9530	0.000	1	118.9530	0.000	1	118.9530	0.000	1	115.7860	20.060	2	115.7860	20.060	2
956	762	893	0:SP2_SP2_SP3	N	C[6]	O	3:2:1:	3:4:3:	3:1:	C[6]-3:O-2:O-1:	C[6]-3:C[6]-4:N-3:	N-3:H-1:	N(C[6]C[6]2)(OH)(O)	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO)	O(NC[6]O)(H)	N(C[6]C[6]2)(OH)(O)	C[6](C[6]N[5,6]N)(C[6]C[6]CC)(NOO){2|C<4>,2|H<1>}	O(NC[6]O)(H)	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	116.4683	23.247	3	116.4683	23.247	3
956	762	893	0:SP2_SP2_SP3	N	C[6]	O	3:2:1:	4:4:3:	3:1:	C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:	N-3:H-1:	N(C[6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO)	O(NC[6]H)(H)	N(C[6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO){2|C<3>,2|C<4>,4|H<1>}	O(NC[6]H)(H)	113.6900	0.424	2	113.6900	0.180	2	113.6900	0.180	2	113.6900	0.180	2	116.4683	23.247	3	116.4683	23.247	3
956	762	899	0:SP2_SP-NON_SP2	N	C[6]	C	3:1:1:	2:2:3:	3:	C[6]-3:C-1:C-1:	C[6]-2:C[6]-2:N-3:	N-3:	N(C[6]C[6]2)(C)2	C[6](C[6]C[6])2(NCC)	C(NC[6]C)	N(C[6]C[6]2)(C)2	C[6](C[6]C[6])2(NCC){1|C<3>}	C(NC[6]C)	122.0810	1.623	8	122.0810	2.635	8	122.0810	2.635	8	122.0810	2.635	8	122.0810	2.635	8	122.0810	2.635	8
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:2:1:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	N-3:O-2:O-1:	N(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NCH)	C(NC[6]H)(OC)(O)	N(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	127.0870	0.052	2	127.0870	0.003	2	127.0870	0.003	2	127.0870	0.003	2	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:C-3:H-1:	N(C[6]N[6]2)(CCH)(H)	C[6](N[6]C[6])2(NCH)	C(NC[6]H)(CCN)(H)	N(C[6]N[6]2)(CCH)(H)	C[6](N[6]C[6])2(NCH){1|C<4>,2|C<3>}	C(NC[6]H)(CCN)(H)	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	125.2585	4.653	4	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.5660	0.612	2	125.8327	5.001	3	125.8327	5.001	3	125.2585	4.653	4	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){3|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	128.3660	0.000	1	125.8327	5.001	3	125.8327	5.001	3	125.2585	4.653	4	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:C-4:O-1:	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5,6])(N[6]C[6])(NCH)	C(NC[6]H)(CC3)(O)	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5,6])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|O<1>}	C(NC[6]H)(CC3)(O)	126.6290	0.000	1	126.6290	0.000	1	126.7335	0.022	2	126.2272	1.552	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:C-4:O-1:	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5a,6])(N[6]C[6])(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5a,6])(N[6]C[6])(NCH){1|C<3>,1|N<3>,1|O<1>}	C(NC[6]H)(CH3)(O)	126.8380	0.000	1	126.8380	0.000	1	126.7335	0.022	2	126.2272	1.552	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	2:2:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	N-3:C-4:O-1:	N(C[6]N[6]S[6])(CCO)(H)	C[6](N[6]N[6])(S[6]C[6])(NCH)	C(NC[6]H)(CCHN)(O)	N(C[6]N[6]S[6])(CCO)(H)	C[6](N[6]N[6])(S[6]C[6])(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CCHN)(O)	125.8897	1.633	3	125.8897	2.665	3	125.8897	2.665	3	126.2272	1.552	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6a]-3:N-3:S-1:	N(C[6]C[6]2)(CC[6a]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C(C[6a]C[6a]2)(NC[6]H)(S)	N(C[6]C[6]2)(CC[6a]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(S)	129.0310	0.000	1	129.0310	0.000	1	129.0310	0.000	1	125.7321	2.358	7	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NC[6]H)(O)	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	125.7321	2.358	7	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	C[5]-3:N-3:O-1:	N(C[6]N[6]2)(CC[5]O)(H)	C[6](N[6]C[6]O)(N[6]C[6])(NCH)	C(C[5]C[5]S[5])(NC[6]H)(O)	N(C[6]N[6]2)(CC[5]O)(H)	C[6](N[6]C[6]O)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]S[5])(NC[6]H)(O)	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	125.7321	2.358	7	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:N-3:O-1:	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C(NC[6]H)(NCH)(O)	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|O<1>}	C(NC[6]H)(NCH)(O)	125.3380	0.000	1	125.3380	0.000	1	125.2210	0.029	4	125.7321	2.358	7	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:N-3:O-1:	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<4>,2|O<1>}	C(NC[6a]H)(NC[6]H)(O)	125.1820	0.187	3	125.1820	0.035	3	125.2210	0.029	4	125.7321	2.358	7	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:2:3:	3:3:4:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:N-3:C-4:	N(C[6]N[6]2)(CCN)(H)	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NCH)	C(NC[6]H)(NPdH)(CH3)	N(C[6]N[6]2)(CCN)(H)	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NCH){1|C<3>,2|N<3>}	C(NC[6]H)(NPdH)(CH3)	129.8110	0.000	1	129.8110	0.000	1	129.8110	0.000	1	129.8110	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-2:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(NC[6])(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(NC[6])(O)	126.8600	0.000	1	126.8600	0.000	1	127.1910	2.853	4	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-2:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(NC[6a])(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	C(NC[6]H)(NC[6a])(O)	127.2550	0.000	1	127.2550	0.000	1	127.1910	2.853	4	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-2:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(NC[5])(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C(NC[6]H)(NC[5])(O)	129.3750	0.000	1	129.3750	0.000	1	127.1910	2.853	4	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-2:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(NC[6a])(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(NC[6]H)(NC[6a])(O)	125.2740	0.000	1	125.2740	0.000	1	127.1910	2.853	4	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C(NC[6]H)(OC)(O)	129.1895	2.775	2	129.1895	7.703	2	126.6684	2.827	14	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(OC)(O)	126.4512	0.939	6	126.2482	1.293	12	126.6684	2.827	14	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<4>,1|C<3>,1|H<1>}	C(NC[6]H)(OC)(O)	127.7730	0.000	1	126.2482	1.293	12	126.6684	2.827	14	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<6>,1|C<3>,1|H<1>}	C(NC[6]H)(OC)(O)	125.6996	1.197	5	126.2482	1.293	12	126.6684	2.827	14	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C(NC[6]H)(OC)(O)	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	126.5724	3.419	19	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.0430	0.000	1	124.0430	0.000	1	124.0430	0.000	1	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[5a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[5a]C[5a]S[5a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[5a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ni<6>,1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6]H)(O)	126.1933	0.398	4	126.1933	0.158	4	126.1933	0.158	4	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6]C[6]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(O)	125.8040	0.000	1	125.8040	0.000	1	125.8040	0.000	1	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.4040	0.000	1	126.4040	0.000	1	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.6630	1.202	2	124.6630	1.445	2	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.6090	0.000	1	123.6090	0.000	1	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	125.7910	0.000	1	125.7910	0.000	1	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	129.1180	0.000	1	129.1180	0.000	1	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)2(NCH){1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.0105	0.682	2	124.0105	0.466	2	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.1350	0.000	1	126.0721	0.893	10	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	125.9070	0.000	1	126.0721	0.893	10	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	127.5280	1.007	2	126.0721	0.893	10	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.0245	0.412	2	126.0721	0.893	10	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	125.3935	0.497	4	126.0721	0.893	10	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.2115	1.317	2	125.5926	2.722	46	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.8282	2.579	4	125.5926	2.722	46	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	125.7381	1.551	40	125.5926	2.722	46	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	127.6700	0.242	2	127.6700	0.058	2	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.4873	1.216	10	126.4873	1.480	10	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	126.0722	0.733	8	126.0722	0.537	8	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	119.3580	0.000	1	119.3580	0.000	1	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.8190	0.000	1	126.8190	0.000	1	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	120.7605	1.701	2	120.7605	2.892	2	125.6447	3.263	88	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	C(NC[6]H)(CCC)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C(NC[6]H)(CCC)(O)	129.0840	0.727	2	129.0840	0.528	2	127.4955	1.629	11	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C(NC[6]H)(CCC)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(NC[6]H)(CCC)(O)	128.0290	0.000	1	128.0290	0.000	1	127.4955	1.629	11	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C(NC[6]H)(CCC)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C(NC[6]H)(CCC)(O)	127.4726	1.024	5	127.4726	1.049	5	127.4955	1.629	11	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(NC[6]H)(CNO)(O)	126.2970	0.981	3	126.2970	0.962	3	127.4955	1.629	11	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C(NC[6]H)(NCH)(O)	126.2545	2.157	2	126.2545	4.654	2	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)2(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	C(NC[6]H)2(O)	127.8755	0.213	2	125.6106	2.337	12	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)2(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|C<4>}	C(NC[6]H)2(O)	125.1483	1.014	4	125.6106	2.337	12	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)2(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C(NC[6]H)2(O)	124.3855	0.844	4	125.6106	2.337	12	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)2(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<5>,1|C<3>,1|H<1>}	C(NC[6]H)2(O)	126.7205	0.931	2	125.6106	2.337	12	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	125.3120	1.075	2	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.4341	0.649	10	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cd<6>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	124.8384	1.922	8	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.0127	1.094	4	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<3>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	124.3080	0.000	1	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.2310	0.579	4	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	125.4490	0.000	1	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	125.9393	1.114	7	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	125.7650	1.954	4	125.7814	1.740	41	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.3324	1.195	5	126.3324	1.427	5	125.8090	1.830	60	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:S-1:	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	C(NC[6a]H)(NC[6]H)(S)	126.0520	0.000	1	126.0520	0.000	1	125.3300	1.043	2	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:S-1:	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)2(S)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,2|H<1>}	C(NC[6]H)2(S)	124.6080	0.000	1	124.6080	0.000	1	125.3300	1.043	2	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(N[5]C[5]2)(NC[6]H)(O)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C(N[5]C[5]2)(NC[6]H)(O)	123.5050	4.460	2	123.5050	19.895	2	125.2855	10.866	4	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)2(NCH)	C(N[5]C[5]2)(NC[6]H)(O)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(N[5]C[5]2)(NC[6]H)(O)	127.0660	0.153	2	127.0660	0.023	2	125.2855	10.866	4	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(C[6]C[6]N[6])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]H)(O)	126.3255	0.743	35	126.3255	0.553	35	126.3255	0.553	35	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	123.7742	1.183	5	123.7742	1.399	5	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.7950	0.000	1	126.3140	4.615	2	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	127.8330	0.000	1	126.3140	4.615	2	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	126.2650	0.000	1	126.8327	0.487	3	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	127.1165	0.701	2	126.8327	0.487	3	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.9555	0.884	8	126.9555	0.781	8	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	127.5860	0.546	2	127.5860	0.298	2	126.1407	2.944	20	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CNO)(O)	125.7100	0.000	1	125.7100	0.000	1	125.7100	0.000	1	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(NC[6]H)(NHH)(O)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(NHH)(O)	126.4153	0.868	3	126.4153	0.754	3	126.1580	0.501	5	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	125.7870	0.000	1	125.7870	0.000	1	126.1580	0.501	5	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:N-3:O-1:	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C(NC[6]H)(NHH)(O)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(NHH)(O)	125.7570	0.000	1	125.7570	0.000	1	126.1580	0.501	5	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:N-3:S-1:	N(C[6]C[6]N[6])(CNS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]N[6])(CNS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(S)	130.9740	0.494	2	130.9740	0.244	2	130.9740	0.244	2	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(NCH)	C(C[5]C[5]S[5])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(NC[6]H)(O)	127.3190	0.000	1	127.3190	0.000	1	127.3190	0.000	1	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C(C[6]C[6]N[6])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]H)(O)	123.3730	0.000	1	123.3730	0.000	1	123.3730	0.000	1	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	128.5070	0.000	1	128.5070	0.000	1	126.0298	5.610	4	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.2560	1.805	2	124.2560	3.256	2	126.0298	5.610	4	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	127.1000	0.000	1	127.1000	0.000	1	126.0298	5.610	4	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-3:H-1:	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C(NC[6]H)(CPdN)(H)	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CPdN)(H)	135.3860	0.000	1	135.3860	0.000	1	135.3860	0.000	1	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:N-3:S-1:	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(NCH)(S)	121.6360	1.607	2	121.6360	2.581	2	121.6360	2.581	2	125.9682	3.190	243	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(NN)	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	128.6438	10.947	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-3:O-2:	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C(C[6]C[6]N[6])(NC[6]H)(OCo)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]H)(OCo)	130.9660	0.000	1	130.9660	0.000	1	130.9660	0.000	1	128.6438	10.947	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:N-3:O-2:	N(C[6]C[6]N[6])(CNO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C(NC[6a]H)(NC[6]H)(OCu)	N(C[6]C[6]N[6])(CNO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(OCu)	127.1170	0.000	1	127.1170	0.000	1	127.1170	0.000	1	128.6438	10.947	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:N-3:S-2:	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C(NC[6]H)(NCH)(SZn)	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(NCH)(SZn)	130.8225	0.144	2	130.8225	0.021	2	130.8225	0.021	2	128.6438	10.947	5	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:N-3:	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	126.8580	0.000	1	126.8580	0.000	1	124.8925	7.726	2	127.0720	18.114	3	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:N-3:N-3:	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(NHH)2	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(NHH)2	122.9270	0.000	1	122.9270	0.000	1	124.8925	7.726	2	127.0720	18.114	3	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]Zn)(NC[6]H)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]Zn)(NC[6]H)	131.4310	0.000	1	131.4310	0.000	1	131.4310	0.000	1	127.0720	18.114	3	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:N-3:C-4:	N(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	C(NC[6]H)(NReH)(CH3)	N(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,1|N<3>,1|O<1>}	C(NC[6]H)(NReH)(CH3)	133.2270	0.000	1	133.2270	0.000	1	133.2270	0.000	1	133.2270	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]H)(CH3)(O)	122.6060	0.733	2	122.6060	0.537	2	122.6060	0.537	2	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C(NC[6]H)(CH3)(O)	125.1490	0.000	1	125.1490	0.000	1	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C(NC[6]H)(CH3)(O)	120.4083	1.572	3	120.4083	2.472	3	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	C(NC[6]H)(CH3)(O)	127.3120	0.000	1	127.3120	0.000	1	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C(NC[6]H)(CCCH)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6]H)(CCCH)(O)	127.1330	0.000	1	127.1330	0.000	1	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CCHH)(O)	127.2960	0.000	1	127.2960	0.000	1	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C(NC[6]H)(CCHH)(O)	127.9400	0.000	1	128.8932	0.409	5	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(NC[6]H)(CCHH)(O)	129.1315	0.409	4	128.8932	0.409	5	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	C(NC[6]H)(CH3)(O)	128.8940	0.000	1	128.1347	0.395	6	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(NC[6]H)(CH3)(O)	127.9828	0.566	5	128.1347	0.395	6	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	C(NC[6]H)(CHHS)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|C<3>}	C(NC[6]H)(CHHS)(O)	129.3370	0.000	1	129.3370	0.000	1	126.8803	9.632	19	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6]H)(CC3)(O)	128.1330	0.000	1	128.1330	0.000	1	126.8233	1.496	3	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CCHH)(O)	125.7110	0.000	1	125.7110	0.000	1	126.8233	1.496	3	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CH3)(O)	126.6260	0.000	1	126.6260	0.000	1	126.8233	1.496	3	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:H-1:	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(H)	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(H)	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	C(NC[6]H)(CH3)(O)	125.7860	0.000	1	125.7860	0.000	1	126.2391	3.017	14	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(O)	126.9745	0.414	4	126.9745	0.172	4	126.2391	3.017	14	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CC3)(O)	127.2060	0.000	1	127.2060	0.000	1	126.2391	3.017	14	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(O)	126.4905	1.493	2	126.4905	2.228	2	126.2391	3.017	14	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CH3)(O)	125.6740	0.397	2	125.6740	0.158	2	126.2391	3.017	14	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(O)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(O)	125.5320	3.175	4	125.5320	10.082	4	126.2391	3.017	14	126.4107	6.584	39	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(OCo)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(OCo)	129.2913	1.152	3	129.2913	1.327	3	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(OCu)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(OCu)	130.3280	0.000	1	130.3280	0.000	1	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C(NC[6]H)(CH3)(OCu)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CH3)(OCu)	129.7070	1.654	3	129.7070	2.737	3	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH)	C(NC[6]H)(CCHH)(OLi)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C(NC[6]H)(CCHH)(OLi)	129.5097	0.527	3	129.5097	0.278	3	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(OMn)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(OMn)	125.9710	0.000	1	125.9710	0.000	1	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(ONi)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(ONi)	130.8330	0.000	1	130.8330	0.000	1	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	3:4:2:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-2:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C(NC[6]H)(CC3)(OZn)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(CC3)(OZn)	130.5770	0.417	3	130.5770	0.174	3	129.6258	1.961	15	129.6258	1.961	15	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C-4:N-3:O-1:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C(CC[6a]CO)(NC[6]H)(O)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	C(CC[6a]CO)(NC[6]H)(O)	128.0360	0.000	1	128.0360	0.000	1	128.0360	0.000	1	126.7926	2.330	14	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C(C[5]C[5]2Fe)(NC[6]H)(O)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)(O)	127.1610	0.119	2	127.1610	0.014	2	126.0932	1.420	10	126.7926	2.330	14	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)2(NCH)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6]H)(O)	125.8263	1.190	8	125.8263	1.416	8	126.0932	1.420	10	126.7926	2.330	14	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C(C[5]C[5]2Co)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Co)(NC[6]H)(O)	128.5530	0.000	1	128.5530	0.000	1	128.7130	0.051	2	126.7926	2.330	14	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C(C[5]C[5]2Fe)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)(O)	128.8730	0.000	1	128.8730	0.000	1	128.7130	0.051	2	126.7926	2.330	14	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C(C[5]C[5]2Fe)(NC[6]H)(O)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)(O)	128.7020	0.000	1	128.7020	0.000	1	128.7020	0.000	1	126.7926	2.330	14	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(O)	127.3750	0.000	1	127.3750	0.000	1	127.3750	0.000	1	127.3750	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(NC[6]H)(OC)(O)	125.6590	0.000	1	125.6590	0.000	1	125.9655	0.188	2	125.9655	0.188	2	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(NC[6]H)(OC)(O)	126.2720	0.000	1	126.2720	0.000	1	125.9655	0.188	2	125.9655	0.188	2	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.2790	0.000	1	126.2790	0.000	1	126.5227	3.395	3	126.5227	3.395	3	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	128.4750	0.000	1	128.4750	0.000	1	126.5227	3.395	3	126.5227	3.395	3	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.8140	0.000	1	124.8140	0.000	1	126.5227	3.395	3	126.5227	3.395	3	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C-3:C-3:	C[6,6a]-3:N[6]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6,6a]N[6])(CC[6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6,6a]N[6])(CC[6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(O)	115.7620	0.897	2	115.7620	0.804	2	115.7620	0.804	2	115.7620	0.804	2	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	118.3130	0.000	1	118.3130	0.000	1	118.3393	7.394	9	118.4418	6.303	13	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(O)	117.8347	2.143	4	117.8347	4.594	4	118.3393	7.394	9	118.4418	6.303	13	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6]2)(CC[6a]O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(O)	118.8505	3.799	4	118.8505	14.435	4	118.3393	7.394	9	118.4418	6.303	13	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N-3:C-3:	C[6]-3:N[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN)	C(NC[6]N)(CCH)(O)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN){2|H<1>,3|C<3>}	C(NC[6]N)(CCH)(O)	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	118.4418	6.303	13	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N-3:C-3:	N[6]-3:C[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN)	C(NC[6]N)(CCH)(O)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN){1|C<3>,2|H<1>}	C(NC[6]N)(CCH)(O)	118.8010	0.000	1	118.8010	0.000	1	119.7780	0.754	3	118.4418	6.303	13	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N-3:C-3:	N[6]-3:C[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN)	C(NC[6]N)(CCH)(O)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C(NC[6]N)(CCH)(O)	120.2665	0.275	2	120.2665	0.076	2	119.7780	0.754	3	118.4418	6.303	13	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	N(C[6]C[6]2)(CC[6a]N)(CC[6a]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]C)(NC[6])	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CCO)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC)	C(NC[6]C)(CCHH)(O)	N(C[6]C[6]2)(CCO)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC){1|O<1>,2|C<3>}	C(NC[6]C)(CCHH)(O)	116.4468	3.734	4	116.4468	13.942	4	116.4468	13.942	4	119.6160	10.721	22	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6])2(CCO)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]C)	C(NC[6]2)(CCHH)(O)	N(C[6]C[6]N[6])2(CCO)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C(NC[6]2)(CCHH)(O)	120.7234	2.715	16	120.7234	7.373	16	120.7234	7.373	16	119.6160	10.721	22	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	C(NC[6a]C[6])(CH3)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	C(NC[6a]C[6])(CH3)(O)	116.7640	0.000	1	116.7640	0.000	1	117.0950	0.219	2	119.6160	10.721	22	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C(NC[6a]C[6])(CH3)(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C(NC[6a]C[6])(CH3)(O)	117.4260	0.000	1	117.4260	0.000	1	117.0950	0.219	2	119.6160	10.721	22	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C-3:C-4:	C[6]-3:C[6]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6]C[6]2)(CC[5a]O)(CH3)	C[6](C[6]C[6]H)2(NCC)	C(C[5a]C[5a]S[5a])(NC[6]C)(O)	N(C[6]C[6]2)(CC[5a]O)(CH3)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6]C)(O)	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	124.7710	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C-4:C-3:	C[6]-3:N[6]-3:N-3:	N-3:N-2:H-1:	N(C[6]C[6]N[6])(CCHH)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC)	C(NC[6]C)(NC[6a])(H)	N(C[6]C[6]N[6])(CCHH)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC){1|C<3>,2|H<1>}	C(NC[6]C)(NC[6a])(H)	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C(NC[6]C)(CH3)(O)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]C)(CH3)(O)	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:4:3:	4:3:3:	3:2:1:	C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	C(NC[6]C)(OC)(O)	N(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	C(NC[6]C)(OC)(O)	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP2_SP2_SP2	N	C[6]	C	3:4:3:	4:3:3:	3:4:1:	C[6]-3:C-4:C-3:	C[6]-4:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	C(NC[6]C)(CClHH)(O)	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	C(NC[6]C)(CClHH)(O)	124.2000	0.000	1	124.2000	0.000	1	124.2000	0.000	1	124.2000	0.000	1	125.5641	9.683	408	125.5641	9.683	408
956	762	930	0:SP3_SP2_SP2	N	C[6]	C	3:3:3:	2:2:3:	3:3:2:	C[6]-3:C-3:N-3:	C[6]-2:C[6]-2:N-3:	C[6]-3:N-3:C-2:	N(C[6]C[6]2)(CC[6]C)(NHH)	C[6](C[6]C[6])2(NCN)	C(C[6]C[6]2)(NC[6]N)(CO)	N(C[6]C[6]2)(CC[6]C)(NHH)	C[6](C[6]C[6])2(NCN){1|C<2>}	C(C[6]C[6]2)(NC[6]N)(CO)	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	115.0610	3.127	3	115.0610	3.127	3
956	762	930	0:SP3_SP2_SP2	N	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N-3:C-3:	C[6]-3:N[6]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN)	C(NC[6]N)(CCH)(O)	N(C[6]C[6]N[6])(NPdC)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN){2|H<1>,3|C<3>}	C(NC[6]N)(CCH)(O)	114.2325	1.462	2	114.2325	2.136	2	114.2325	2.136	2	114.2325	2.136	2	115.0610	3.127	3	115.0610	3.127	3
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:2:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:N[6]-2:N-3:	C-3:N-3:	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN)	N(CC[6a]H)(NC[6]H)	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN){1|N<3>,2|C<3>}	N(CC[6a]H)(NC[6]H)	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	117.8498	0.645	6	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:2:3:	3:3:	C[6]-3:N-2:H-1:	N[6]-3:N[6]-2:N-3:	N-3:C-3:	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHN)	N(NC[6]H)(CCH)	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHN){1|N<2>,2|N<3>}	N(NC[6]H)(CCH)	117.6370	0.683	5	117.6370	0.466	5	117.6370	0.466	5	117.8498	0.645	6	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:1:	C[6]-3:N-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:H-1:	N(C[6]C[6,6a]N[6])(NH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	N(NC[6]H)(H)	N(C[6]C[6,6a]N[6])(NH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	N(NC[6]H)(H)	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:C-3:	N(C[6]C[6,6a]2)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN)	N(NC[6]H)(CCH)	N(C[6]C[6,6a]2)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN){1|N<3>,2|H<1>,4|C<3>}	N(NC[6]H)(CCH)	125.5360	0.000	1	125.5360	0.000	1	125.5360	0.000	1	118.8474	5.897	12	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:N-3:	C-3:N-3:	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	N(CC[6a]H)(NC[6]H)	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	N(CC[6a]H)(NC[6]H)	118.3000	0.460	6	118.3000	0.211	6	118.3000	0.211	6	118.8474	5.897	12	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	C-3:N-3:	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	N(CC[6a]H)(NC[6]H)	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	N(CC[6a]H)(NC[6]H)	117.0560	0.000	1	117.0560	0.000	1	117.0560	0.000	1	118.8474	5.897	12	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:C-3:	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	N(NC[6]H)(CCH)	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	N(NC[6]H)(CCH)	117.6020	0.420	2	117.6020	0.176	2	117.6020	0.176	2	118.8474	5.897	12	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:N-3:	N-3:C-3:	N(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	N(NC[6]H)(CCC)	N(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	N(NC[6]H)(CCC)	121.5670	0.000	1	121.5670	0.000	1	121.5670	0.000	1	118.8474	5.897	12	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:2:1:	3:3:3:	3:3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:N-3:	N(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	N(C[6a]C[6a]2)(NC[6]H)	N(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(NC[6]H)	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	118.8474	5.897	12	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:4:2:	3:2:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-2:N-3:	C-3:N-3:	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6])(NCN)	N(CC[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6])(NCN){1|H<1>,2|N<3>}	N(CC[6a]H)(NC[6]C)	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-3:N-3:	C-3:N-3:	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	N(CC[5]H)(NC[6]C)	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	N(CC[5]H)(NC[6]C)	114.8490	0.000	1	114.8490	0.000	1	114.9287	0.022	3	114.9287	0.022	3	117.7682	5.531	23	117.7682	5.531	23
956	762	941	0:SP2_SP2_SP2	N	C[6]	N	3:4:2:	3:3:3:	3:3:	C[6]-3:C-4:N-2:	C[6]-3:N[6]-3:N-3:	C-3:N-3:	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	N(CC[6a]H)(NC[6]C)	N(C[6]C[6]N[6])(CH3)(NC)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	N(CC[6a]H)(NC[6]C)	114.9685	0.187	2	114.9685	0.035	2	114.9287	0.022	3	114.9287	0.022	3	117.7682	5.531	23	117.7682	5.531	23
956	762	945	0:SP2_SP2_SP3	N	C[6]	P	3:3:1:	3:3:3:	3:2:2:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:O-2:O-2:	N(C[6]C[6]N[6])(POO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	P(NC[6]H)(OC)2	N(C[6]C[6]N[6])(POO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	P(NC[6]H)(OC)2	127.0377	0.885	3	127.0377	0.783	3	127.0377	0.783	3	127.0377	0.783	3	125.5870	7.541	6	125.5870	7.541	6
956	762	945	0:SP2_SP2_SP3	N	C[6]	P	3:3:1:	3:3:3:	3:3:3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	P(C[6a]C[6a]2)2(NC[6]H)	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(NC[6]H)	125.3280	0.000	1	125.3280	0.000	1	122.7995	12.787	2	122.7995	12.787	2	125.5870	7.541	6	125.5870	7.541	6
956	762	945	0:SP2_SP2_SP3	N	C[6]	P	3:3:1:	3:3:3:	3:3:3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	P(C[6a]C[6a]2)2(NC[6]H)	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(NC[6]H)	120.2710	0.000	1	120.2710	0.000	1	122.7995	12.787	2	122.7995	12.787	2	125.5870	7.541	6	125.5870	7.541	6
956	762	945	0:SP2_SP2_SP3	N	C[6]	P	3:3:1:	3:3:3:	3:4:4:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:C-4:C-4:	N(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	P(NC[6]H)(CCHH)2	N(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	P(NC[6]H)(CCHH)2	126.8100	0.000	1	126.8100	0.000	1	126.8100	0.000	1	126.8100	0.000	1	125.5870	7.541	6	125.5870	7.541	6
956	762	951	0:SP2_SP-NON_SP2	N	C[6,6]	H	3:1:1:	3:4:3:	3:	C[6,6]-3:H-1:H-1:	C[6,6]-3:C[3x6]-4:N-3:	N-3:	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH)	H(NC[6,6]H)	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(NHH){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(NC[6,6]H)	119.9670	0.048	2	119.9670	0.002	2	119.9670	0.002	2	119.9670	0.002	2	120.1760	0.861	4	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6,6]	H	3:1:1:	4:3:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:N-3:	N-3:	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	H(NC[6,6]H)	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	H(NC[6,6]H)	120.3850	1.551	2	120.3850	2.407	2	120.3850	2.407	2	120.3850	2.407	2	120.1760	0.861	4	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	115.4504	3.418	5	115.4504	11.683	5	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6]H)	119.9990	0.039	13	119.9825	0.005	17	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	119.9288	0.123	4	119.9825	0.005	17	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a])(N[6]N[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a])(N[6]N[6])(NHH){1|O<1>,2|C<3>}	H(NC[6]H)	117.7885	1.348	2	117.7885	1.818	2	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	119.8183	1.231	50	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6]H)	120.7675	4.338	2	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){1|C<4>,2|N<3>}	H(NC[6]H)	119.8051	0.617	19	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){1|Cl<1>,1|C<3>,1|O<1>}	H(NC[6]H)	117.9880	10.110	2	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	117.5225	5.525	2	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){1|N<3>,2|C<3>}	H(NC[6]H)	120.5000	0.518	2	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6])2(NHH){3|N<3>}	H(NC[6]H)	119.7002	1.456	152	119.7170	2.512	229	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[6])2(NHH){1|Co<6>,1|C<3>}	H(NC[6]H)	119.9700	0.023	3	119.9903	0.001	9	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[6])2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[6])2(NHH){1|Fe<6>,1|C<3>}	H(NC[6]H)	120.0005	0.033	6	119.9903	0.001	9	119.6475	2.760	262	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<3>,1|H<1>,3|C<4>}	H(NC[6]H)	120.0037	0.021	3	119.8224	6.646	7	119.8224	6.646	7	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	118.3160	4.571	2	119.8224	6.646	7	119.8224	6.646	7	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(NHH){1|N<2>,1|S<2>,2|H<1>}	H(NC[6]H)	121.0570	3.362	2	119.8224	6.646	7	119.8224	6.646	7	119.6521	2.838	269	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6]H)	119.9870	0.018	2	120.0137	0.003	14	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	H(NC[6]H)	120.0182	0.061	12	120.0137	0.003	14	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|S<2>}	H(NC[6]H)	121.3800	1.656	2	119.3331	4.046	13	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	H(NC[6]H)	119.9903	0.026	3	119.3331	4.046	13	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	117.3645	0.619	4	119.3331	4.046	13	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,2|C<4>}	H(NC[6]H)	119.7853	2.495	4	119.3331	4.046	13	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	119.5210	2.035	4	119.9318	4.370	6	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	120.7535	2.722	2	119.9318	4.370	6	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	119.1390	1.525	2	119.1390	2.324	2	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	H(NC[6]H)	120.0105	0.028	4	120.0105	0.001	4	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH){2|C<3>}	H(NC[6]H)	119.9830	0.000	1	119.9830	0.000	1	119.7354	1.981	40	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	125.1410	1.936	2	121.2185	10.555	6	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	119.2572	0.978	4	121.2185	10.555	6	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<3>,1|N<2>,2|C<4>}	H(NC[6]H)	120.1905	1.109	4	120.2430	1.959	26	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<2>,2|C<3>}	H(NC[6]H)	120.0040	0.011	2	120.2430	1.959	26	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>}	H(NC[6]H)	120.8245	1.223	2	120.2430	1.959	26	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,2|C<3>}	H(NC[6]H)	120.8492	2.775	6	120.2430	1.959	26	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	120.0320	0.004	2	120.2430	1.959	26	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	119.8740	0.302	10	120.2430	1.959	26	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	119.1834	2.438	44	119.2497	5.191	56	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	119.4926	1.622	12	119.2497	5.191	56	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	119.9825	0.022	2	119.9825	0.000	2	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	120.3647	3.156	25	118.4048	13.107	116	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	119.7755	1.172	2	118.4048	13.107	116	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	117.8235	3.595	89	118.4048	13.107	116	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	117.0775	0.452	2	117.0775	0.204	2	118.9456	9.748	208	119.0730	8.567	248	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	117.6200	3.673	2	120.1464	1.683	31	120.1464	1.683	31	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,1|H<1>,3|N<3>}	H(NC[6]H)	122.3640	1.131	4	120.1464	1.683	31	120.1464	1.683	31	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	H(NC[6]H)	120.0088	0.065	17	120.1464	1.683	31	120.1464	1.683	31	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NHH){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	H(NC[6]H)	119.9615	0.088	8	120.1464	1.683	31	120.1464	1.683	31	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	H(NC[6]H)	120.0105	0.005	2	120.0105	0.000	2	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	H(NC[6]H)	119.9930	0.024	2	119.9930	0.001	2	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(NC[6]H)	116.5315	6.523	2	120.3447	5.900	31	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	H(NC[6]H)	120.0013	0.037	9	120.3447	5.900	31	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]H)	120.0080	0.037	10	120.3447	5.900	31	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	H(NC[6]H)	122.2447	2.812	6	120.3447	5.900	31	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|N<2>,1|O<2>,2|N<3>}	H(NC[6]H)	118.4885	2.005	2	120.3447	5.900	31	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|Sn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	123.5425	3.252	2	120.3447	5.900	31	120.3055	5.218	35	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	H(NC[6]H)	115.7965	2.218	2	115.7965	4.920	2	115.7965	4.920	2	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6]H)	119.3925	2.855	2	119.3925	8.149	2	119.6400	5.386	18	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,2|N<3>}	H(NC[6]H)	119.6709	2.356	16	119.6709	5.552	16	119.6400	5.386	18	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|N<3>,2|C<4>}	H(NC[6]H)	119.9480	0.000	1	119.9927	0.003	3	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[6,6])(NHH){1|H<1>,1|O<2>,2|C<4>}	H(NC[6]H)	120.0150	0.049	2	119.9927	0.003	3	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	H(NC[6]H)	120.7804	2.993	24	120.2820	4.655	78	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	H(NC[6]H)	120.0121	1.555	52	120.2820	4.655	78	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|N<3>,1|O<1>}	H(NC[6]H)	121.3195	4.137	2	120.2820	4.655	78	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH){1|N<3>,2|C<4>}	H(NC[6]H)	121.3012	4.000	4	121.3012	16.001	4	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<2>}	H(NC[6]H)	115.6020	3.651	6	119.4973	6.464	46	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	H(NC[6]H)	120.2723	1.888	18	119.4973	6.464	46	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	119.9265	0.094	4	119.4973	6.464	46	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|Ru<7>,1|S<2>,2|N<3>}	H(NC[6]H)	119.9355	0.033	2	119.4973	6.464	46	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|S<1>,2|N<3>}	H(NC[6]H)	119.2758	1.950	8	119.4973	6.464	46	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	H(NC[6]H)	120.5724	1.864	8	119.4973	6.464	46	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<2>,1|N<3>,1|O<1>}	H(NC[6]H)	120.0380	0.013	2	120.9498	5.218	9	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	H(NC[6]H)	121.2103	2.569	7	120.9498	5.218	9	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH){1|C<4>,2|C<3>,2|N<3>}	H(NC[6]H)	120.2211	1.251	58	120.2211	1.565	58	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]N[6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]N[6])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	H(NC[6]H)	120.2400	1.257	41	120.2400	1.580	41	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	H(NC[6]H)	119.9795	0.033	2	119.5984	7.983	20	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	H(NC[6]H)	121.0747	5.653	4	119.5984	7.983	20	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Ni<6>,1|C<3>,1|H<1>}	H(NC[6]H)	118.4519	2.243	8	119.5984	7.983	20	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Sn<4>,1|C<3>,1|H<1>}	H(NC[6]H)	120.0157	0.049	6	119.5984	7.983	20	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	120.1022	2.115	6	120.3273	2.844	26	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.0015	0.024	4	120.3273	2.844	26	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	H(NC[6]H)	120.4977	2.179	10	120.3273	2.844	26	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	H(NC[6]H)	120.6238	1.232	4	120.3273	2.844	26	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|Zn<4>,1|C<3>,1|H<1>}	H(NC[6]H)	120.2090	0.264	2	120.3273	2.844	26	120.1254	4.062	285	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	120.9778	2.968	4	120.9778	8.808	4	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	H(NC[6]H)	119.5719	0.802	8	119.6022	0.613	16	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	H(NC[6]H)	119.6326	0.817	8	119.6022	0.613	16	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	120.0876	1.364	9	119.7421	2.308	11	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){4|C<3>}	H(NC[6]H)	118.1875	1.513	2	119.7421	2.308	11	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	H(NC[6]H)	118.5281	1.424	8	118.5281	2.028	8	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	118.9969	2.109	10	118.9969	4.450	10	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(NC[6]H)	118.0350	1.779	2	118.0350	3.165	2	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(NC[6]H)	119.9730	0.013	2	119.9730	0.000	2	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	H(NC[6]H)	120.4928	3.040	4	120.0515	1.711	36	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	119.8118	0.800	26	120.0515	1.711	36	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6]H)	120.7960	1.454	6	120.0515	1.711	36	119.6716	2.372	89	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:S[6]-2:N-3:	N-3:	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|C<4>,4|H<1>}	H(NC[6]H)	115.8380	0.290	2	115.8380	0.084	2	115.8380	0.084	2	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5a,6]N[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[5a,6]N[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(NC[6]H)	119.9873	0.030	4	119.9938	0.001	6	119.9938	0.001	6	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5a,6]N[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[5a,6]N[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){2|C<3>,2|N<3>}	H(NC[6]H)	120.0070	0.017	2	119.9938	0.001	6	119.9938	0.001	6	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	114.7955	1.347	4	114.7955	1.816	4	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6]Rh)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6]Rh)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<2>}	H(NC[6]H)	120.0370	0.040	2	120.0370	0.002	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	121.3435	3.481	4	120.8960	7.753	6	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	120.0010	0.018	2	120.8960	7.753	6	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	118.5875	0.636	2	118.5875	0.404	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	119.7587	2.138	15	119.7587	4.573	15	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.8720	4.996	4	119.6509	16.793	8	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.4297	3.755	4	119.6509	16.793	8	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cd)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cd)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.2730	0.594	2	119.2730	0.353	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Co)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Co)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0014	0.031	7	120.0014	0.001	7	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	117.1895	0.129	2	119.7623	0.630	24	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	119.9933	0.041	18	119.7623	0.630	24	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.0095	0.056	4	119.7623	0.630	24	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Fe)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Fe)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	120.9305	1.130	6	120.9305	1.277	6	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.9654	0.887	12	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6]H)	120.0775	1.129	58	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|O<2>}	H(NC[6]H)	119.5930	0.994	12	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	117.0824	3.397	12	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.9203	1.687	63	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	118.8120	2.763	11	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|C<4>}	H(NC[6]H)	119.7776	1.346	43	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.5844	1.903	47	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	120.8700	2.304	10	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|O<2>}	H(NC[6]H)	120.0956	0.576	39	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6]H)	119.4849	1.509	18	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<1>}	H(NC[6]H)	116.3960	4.459	2	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6]H)	119.3413	1.923	8	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	116.5255	1.135	2	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	119.7288	1.577	273	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	H(NC[6]H)	121.6418	3.496	10	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){2|C<4>,2|N<3>}	H(NC[6]H)	122.4635	2.839	2	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|C<3>}	H(NC[6]H)	120.0260	0.055	2	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	H(NC[6]H)	120.0461	0.525	22	119.7664	2.918	646	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ir)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	117.8400	0.755	2	117.8400	0.570	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Mn)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Mn)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0220	0.017	2	120.0220	0.000	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	120.1491	1.415	9	120.2229	1.836	17	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.7687	1.176	6	120.2229	1.836	17	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ni)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	118.9175	1.094	2	120.2229	1.836	17	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	117.3865	1.862	2	119.1081	6.032	26	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	H(NC[6]H)	118.4483	3.412	8	119.1081	6.032	26	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	H(NC[6]H)	119.6532	1.857	16	119.1081	6.032	26	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Pd)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Pd)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0020	0.028	2	120.0020	0.001	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Rh)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Rh)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	117.8540	1.706	2	117.8540	2.909	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.0010	0.000	1	120.0203	0.001	3	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	120.0300	0.028	2	120.0203	0.001	3	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]V)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]V)(N[6]C[6])(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	120.0065	0.073	2	120.0065	0.005	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	119.9785	0.040	2	120.9153	4.242	10	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	124.5915	2.094	2	120.9153	4.242	10	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Zn)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	120.0022	0.044	6	120.9153	4.242	10	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]Cu)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]Cu)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	H(NC[6]H)	120.0085	0.035	2	120.0085	0.001	2	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	H(NC[6]H)	118.1685	5.525	4	119.8816	4.623	44	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<3>}	H(NC[6]H)	120.0529	1.555	40	119.8816	4.623	44	119.7590	3.256	834	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]S[6])(H)2	C[6](N[6]C[6]H)(S[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6]H)	119.3393	1.889	6	119.3393	3.566	6	119.3393	3.566	6	119.8421	3.463	1308	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Co)(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Co)(NHH){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0000	0.205	4	120.0000	0.042	4	119.8098	0.569	13	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]H)	119.3285	1.335	4	119.6946	0.918	8	119.8098	0.569	13	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0607	0.054	4	119.6946	0.918	8	119.8098	0.569	13	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Pt)(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]Pt)(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	119.9710	0.000	1	119.9710	0.000	1	119.8098	0.569	13	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	H(NC[6]H)	120.0240	0.000	1	120.0240	0.000	1	120.1033	0.069	3	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH)	H(NC[6]H)	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH){1|N<2>,5|C<3>}	H(NC[6]H)	120.1430	0.359	2	120.1430	0.129	2	120.1033	0.069	3	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0212	0.038	5	120.0212	0.001	5	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(NC[6]H)	119.7767	3.110	4	119.8224	3.114	109	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	119.8854	1.462	81	119.8224	3.114	109	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]H)	119.4802	2.578	20	119.8224	3.114	109	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,2|N<3>}	H(NC[6]H)	120.3047	1.448	4	119.8224	3.114	109	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	H(NC[6]H)	119.5175	1.197	2	120.7895	5.067	6	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|N<3>,1|O<2>,2|N<2>}	H(NC[6]H)	120.0220	0.615	2	120.7895	5.067	6	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	H(NC[6]H)	122.8290	3.285	2	120.7895	5.067	6	119.8791	3.084	120	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6]H)	118.7435	1.160	2	118.7435	1.346	2	118.7435	1.346	2	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]C[6,6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(NC[6]H)	118.4595	0.873	2	118.4595	0.763	2	118.4595	0.763	2	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	H(NC[6]H)	N(C[6]C[6,6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	H(NC[6]H)	120.8573	1.597	58	120.8573	2.550	58	120.8573	2.550	58	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	121.2490	1.954	4	121.2560	3.181	12	120.8569	5.032	14	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	H(NC[6]H)	121.2595	1.834	8	121.2560	3.181	12	120.8569	5.032	14	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	H(NC[6]H)	N(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	H(NC[6]H)	118.4625	4.129	2	118.4625	17.047	2	120.8569	5.032	14	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	H(NC[6]H)	123.9775	1.429	2	123.9775	2.042	2	123.9775	2.042	2	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|C<3>,1|O<1>,1|S<1>,2|N<3>}	H(NC[6]H)	116.7940	0.588	4	118.7498	3.015	10	119.3114	2.924	16	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|N<2>,1|O<1>,3|N<3>}	H(NC[6]H)	120.1675	0.684	2	118.7498	3.015	10	119.3114	2.924	16	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	H(NC[6]H)	119.9968	0.178	4	118.7498	3.015	10	119.3114	2.924	16	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	H(NC[6]H)	121.2835	1.592	2	120.2475	1.663	6	119.3114	2.924	16	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	H(NC[6]H)	119.7295	0.924	4	120.2475	1.663	6	119.3114	2.924	16	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	H(NC[6]H)	115.5195	0.650	2	119.3330	28.705	4	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	H(NC[6]H)	123.1465	5.246	2	119.3330	28.705	4	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH){1|O<1>,2|C<3>}	H(NC[6]H)	120.0165	0.030	2	120.0165	0.001	2	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH){1|O<1>,2|C<3>}	H(NC[6]H)	117.3478	5.306	6	117.3478	28.152	6	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	H(NC[6]H)	109.5225	1.678	2	118.6801	11.511	20	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	119.1775	2.020	4	118.6801	11.511	20	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	H(NC[6]H)	119.7841	1.324	10	118.6801	11.511	20	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	H(NC[6]H)	120.0012	0.064	4	118.6801	11.511	20	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]H)	120.4854	2.709	8	120.4854	7.340	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]H)	121.2055	2.213	2	119.5674	6.566	30	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	H(NC[6]H)	119.4504	2.580	28	119.5674	6.566	30	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.4895	1.669	4	115.1625	24.820	10	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	111.6112	2.274	6	115.1625	24.820	10	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	H(NC[6]H)	120.4800	2.076	4	120.4800	4.308	4	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH){1|Zn<5>,1|C<3>,1|H<1>}	H(NC[6]H)	119.9840	0.023	2	119.9840	0.001	2	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.2627	1.431	9	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|H<1>}	H(NC[6]H)	121.0340	2.499	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	118.7130	3.056	58	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cd<6>,1|C<3>,1|H<1>}	H(NC[6]H)	120.0233	0.033	4	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	H(NC[6]H)	118.1623	3.665	6	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	H(NC[6]H)	112.9265	3.156	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>}	H(NC[6]H)	109.8545	2.389	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<5>,1|C<3>,1|H<1>}	H(NC[6]H)	119.9575	0.028	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<5>,1|C<3>,1|H<1>}	H(NC[6]H)	118.1765	3.130	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	H(NC[6]H)	116.1362	3.805	10	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Mn<6>,1|C<3>,1|H<1>}	H(NC[6]H)	118.3940	2.595	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	H(NC[6]H)	117.2880	1.424	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Re<6>,1|C<3>,1|H<1>}	H(NC[6]H)	114.5874	4.893	10	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ru<6>,1|C<3>,1|H<1>}	H(NC[6]H)	116.9260	1.785	6	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Zn<4>,1|C<3>,1|H<1>}	H(NC[6]H)	120.0575	0.069	2	117.9156	12.336	119	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.5156	3.118	18	119.5156	9.719	18	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<2>,2|H<1>}	H(NC[6]H)	108.4360	2.425	2	119.4142	4.472	379	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.8166	0.363	7	119.4142	4.472	379	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	120.0260	0.038	4	119.4142	4.472	379	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<4>,1|H<1>,1|N<3>}	H(NC[6]H)	120.0429	0.059	7	119.4142	4.472	379	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	H(NC[6]H)	119.4485	2.003	359	119.4142	4.472	379	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	120.3295	2.743	2	120.3295	7.523	2	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	119.8263	2.323	4	118.2645	10.249	19	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	117.8480	3.337	15	118.2645	10.249	19	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	120.0280	0.007	2	119.9824	0.003	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	119.9055	0.049	2	119.9824	0.003	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	120.0160	0.011	2	119.9824	0.003	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	119.9800	0.025	2	119.9824	0.003	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	H(NC[6]H)	120.0105	0.015	2	120.0105	0.000	2	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH){1|C<3>,1|O<2>}	H(NC[6]H)	120.2590	2.621	2	120.2590	6.867	2	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.3220	4.356	2	118.8751	11.799	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	118.7262	3.552	6	118.8751	11.799	8	119.0354	7.723	643	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	H(NC[6]H)	119.9740	0.037	2	119.9740	0.001	2	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.0388	4.851	25	118.9163	19.503	40	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	H(NC[6]H)	120.0200	0.064	2	118.9163	19.503	40	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	H(NC[6]H)	120.0183	0.048	3	118.9163	19.503	40	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.5845	1.973	8	118.9163	19.503	40	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	111.9560	7.852	2	118.9163	19.503	40	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|C<4>,2|C<3>}	H(NC[6]H)	119.9900	0.013	2	119.6613	2.179	6	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	118.9940	3.091	2	119.6613	2.179	6	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|N<3>,1|O<1>,1|S<1>}	H(NC[6]H)	120.0000	0.049	2	119.6613	2.179	6	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.8115	1.140	55	119.8557	1.437	59	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	H(NC[6]H)	120.9505	3.265	2	119.8557	1.437	59	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	H(NC[6]H)	119.9750	0.048	2	119.8557	1.437	59	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	H(NC[6]H)	120.0042	0.029	4	120.0042	0.001	4	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.9680	0.021	2	119.9680	0.000	2	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.2825	3.996	2	118.8630	3.504	6	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	H(NC[6]H)	118.6532	0.585	4	118.8630	3.504	6	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	119.5072	1.447	32	119.5072	2.094	32	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	122.3010	3.123	2	122.3010	9.751	2	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.9910	0.017	2	119.9921	11.365	41	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]H)	118.1223	7.482	4	119.9921	11.365	41	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.7812	4.493	10	119.9921	11.365	41	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|S<2>}	H(NC[6]H)	119.5930	3.387	2	119.9921	11.365	41	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.0090	1.821	23	119.9921	11.365	41	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6]H)	120.9716	4.929	10	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.2410	2.072	158	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]H)	118.7069	4.408	19	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.3967	2.403	161	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<1>}	H(NC[6]H)	119.9543	0.130	3	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	H(NC[6]H)	119.9420	0.025	2	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	H(NC[6]H)	120.0137	0.054	3	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.5398	2.536	367	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<4>,1|N<2>,1|N<3>}	H(NC[6]H)	114.0885	1.330	2	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6]H)	119.0670	2.613	2	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6]H)	120.0037	0.597	7	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<2>,1|S<1>}	H(NC[6]H)	120.0650	4.924	2	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	119.9320	2.040	173	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	H(NC[6]H)	119.8510	1.366	5	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	119.1917	2.973	8	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<3>,2|N<2>}	H(NC[6]H)	120.9290	0.902	4	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	H(NC[6]H)	120.0094	0.970	8	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Pd<4>,1|C<3>,1|H<1>}	H(NC[6]H)	119.9240	0.027	2	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	H(NC[6]H)	117.8551	2.669	36	119.4783	6.024	972	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	117.9250	1.581	2	117.9250	2.500	2	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH){1|C<3>,1|H<1>}	H(NC[6]H)	119.9935	0.097	2	119.9935	0.009	2	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.9840	0.028	2	120.0184	3.282	83	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.8447	1.797	9	120.0184	3.282	83	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.9869	1.670	70	120.0184	3.282	83	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	H(NC[6]H)	121.9375	6.571	2	120.0184	3.282	83	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.0005	0.034	4	119.2473	2.737	11	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	H(NC[6]H)	118.8169	1.992	7	119.2473	2.737	11	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	118.9325	1.779	8	118.9325	3.166	8	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){1|C<4>,2|C<3>,2|N<3>}	H(NC[6]H)	120.0493	0.088	4	120.0369	0.004	8	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	H(NC[6]H)	120.0245	0.049	4	120.0369	0.004	8	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	H(NC[6]H)	119.9856	0.022	12	119.9856	0.000	12	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	H(NC[6]H)	119.7901	0.866	12	119.6664	3.221	16	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.9955	0.012	2	119.6664	3.221	16	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	H(NC[6]H)	118.5955	6.113	2	119.6664	3.221	16	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|N<3>}	H(NC[6]H)	117.6295	2.621	4	117.6295	6.869	4	119.5324	5.906	1312	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH)	H(NC[6]H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(NC[6]H)	120.0091	0.032	8	120.0091	0.001	8	119.6560	10.935	20	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH){2|C<3>,2|C<4>,2|H<1>}	H(NC[6]H)	120.0125	0.023	2	120.0125	0.001	2	119.6560	10.935	20	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	118.1372	8.079	4	119.0645	28.955	8	119.6560	10.935	20	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,2|N<3>}	H(NC[6]H)	119.9917	0.054	4	119.0645	28.955	8	119.6560	10.935	20	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]N[5,6]C[6])(H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH){1|C<2>,1|C<4>,3|C<3>}	H(NC[6]H)	120.2525	0.556	2	120.2525	0.310	2	119.6560	10.935	20	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	H(NC[6]H)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|C<3>}	H(NC[6]H)	119.9865	0.084	2	119.9865	0.007	2	119.9844	0.001	8	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	119.9685	0.028	2	119.9685	0.001	2	119.9844	0.001	8	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH)	H(NC[6]H)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<2>,4|C<3>}	H(NC[6]H)	119.9810	0.006	2	119.9810	0.000	2	119.9844	0.001	8	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]N[5a,6]C[6])(H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(NC[6]H)	120.0015	0.009	2	120.0015	0.000	2	119.9844	0.001	8	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]N[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(NC[6]H)	122.0320	2.254	2	122.0320	5.082	2	122.0320	5.082	2	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	H(NC[6]H)	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	H(NC[6]H)	121.3175	1.917	2	121.3175	3.675	2	121.3175	3.675	2	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	120.0120	0.031	2	120.0120	0.001	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	H(NC[6]H)	120.0000	0.008	2	120.0000	0.000	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	H(NC[6]H)	119.9723	0.049	3	119.9723	0.002	3	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	H(NC[6]H)	119.6330	0.497	4	119.6330	0.247	4	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.0050	0.061	2	120.0050	0.004	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	119.9880	0.047	4	119.9880	0.002	4	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	H(NC[6]H)	119.3528	2.797	4	119.3528	7.824	4	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	120.0225	0.064	2	120.0225	0.004	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<3>}	H(NC[6]H)	120.0083	0.029	4	120.0083	0.001	4	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.9909	0.043	7	119.9909	0.002	7	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.9993	0.042	3	119.9993	0.002	3	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.5620	2.070	14	119.6402	3.513	17	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	120.0050	0.022	3	119.6402	3.513	17	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.9890	0.024	2	119.8322	1.021	16	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.0006	0.062	5	119.8322	1.021	16	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.7038	1.367	9	119.8322	1.021	16	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.9975	0.093	2	119.9975	0.009	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	122.5500	0.628	2	118.8354	13.187	8	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	117.5972	3.320	6	118.8354	13.187	8	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.4520	1.773	2	119.4520	3.145	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.6808	1.485	6	120.6808	2.205	6	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	119.9909	0.048	11	119.9909	0.002	11	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.0020	0.000	1	120.0020	0.000	1	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.0012	0.654	13	119.6955	5.637	25	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	119.8785	3.334	6	119.6955	5.637	25	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	118.8502	3.711	6	119.6955	5.637	25	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	117.6947	2.957	4	118.8454	5.262	8	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	119.9695	0.013	2	118.8454	5.262	8	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6]H)	120.0225	0.069	2	118.8454	5.262	8	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Sr)(C[6]C[6]N)(NHH){1|N<3>,1|O<1>,1|O<2>}	H(NC[6]H)	119.9945	0.021	2	119.9945	0.000	2	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	119.6845	1.580	8	120.1995	63.936	38	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.6671	10.274	23	120.1995	63.936	38	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	119.9990	0.066	5	120.1995	63.936	38	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	H(NC[6]H)	117.3825	1.603	2	120.1995	63.936	38	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	H(NC[6]H)	120.0090	0.000	1	119.0097	5.665	16	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	H(NC[6]H)	120.0170	0.016	2	119.0097	5.665	16	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	H(NC[6]H)	118.7778	2.602	13	119.0097	5.665	16	119.7645	15.233	189	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6]Pt)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5,6]Pt)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	119.9735	0.786	2	119.9735	0.617	2	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	119.9860	0.000	1	119.9860	0.000	1	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]Pt)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]Pt)(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6]H)	119.9670	0.014	2	119.9670	0.000	2	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	116.9985	1.307	6	117.7506	3.159	8	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){2|H<1>,3|C<4>}	H(NC[6]H)	120.0070	0.017	2	117.7506	3.159	8	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	120.5230	3.479	4	120.5230	12.105	4	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	120.0300	0.017	2	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6]H)	119.9820	0.149	4	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	H(NC[6]H)	119.9108	1.187	11	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]H)	119.0305	0.585	2	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	121.3979	3.172	11	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	118.7827	1.604	18	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)2(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	119.5007	1.345	11	119.7465	3.897	59	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)2(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	120.9108	1.062	4	120.0766	3.908	12	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]O)2(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	119.6595	2.250	8	120.0766	3.908	12	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Pd)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Pd)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]H)	119.8540	3.091	2	119.8540	9.557	2	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]O)2(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]N[6]O)2(NHH){1|C<3>}	H(NC[6]H)	119.9815	0.025	8	119.9815	0.001	8	119.6886	3.852	98	119.4917	6.857	2504	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	120.0030	0.000	1	120.0030	0.000	1	120.0042	0.000	5	120.0042	0.000	5	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH){1|O<1>,2|C<3>,3|C<4>}	H(NC[6]H)	120.0045	0.010	4	120.0045	0.000	4	120.0042	0.000	5	120.0042	0.000	5	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]C[6,6a]C[5]2)(N[6]C[6])(NHH){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(NC[6]H)	119.9820	2.085	2	119.9820	4.345	2	119.9820	4.345	2	120.7022	2.769	12	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:N[6]-2:N-3:	N-3:	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[3x6]C[6,6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(NC[6]H)	119.9970	0.023	2	119.9970	0.001	2	119.9970	0.001	2	120.7022	2.769	12	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(NHH){1|N<2>,2|C<3>}	H(NC[6]H)	121.3615	1.564	4	121.3615	2.445	4	121.0585	3.295	8	120.7022	2.769	12	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]CC)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	H(NC[6]H)	120.7555	2.236	4	120.7555	4.998	4	121.0585	3.295	8	120.7022	2.769	12	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(NC[6]H)	110.7720	0.327	2	110.7720	0.107	2	117.9439	16.547	9	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(NC[6]H)	119.9850	0.019	4	119.9930	0.001	7	117.9439	16.547	9	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(NC[6]H)	119.9720	0.000	1	119.9930	0.001	7	117.9439	16.547	9	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	H(NC[6]H)	120.0195	0.049	2	119.9930	0.001	7	117.9439	16.547	9	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|N<3>}	H(NC[6]H)	119.9905	0.023	2	119.9905	0.001	2	121.6758	5.287	6	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]2N[6])(C[6]C[6]C)(NHH){1|C<3>,3|C<4>,6|H<1>}	H(NC[6]H)	120.6605	0.016	2	120.6605	0.000	2	121.6758	5.287	6	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	H(NC[6]H)	124.3765	2.026	2	124.3765	4.104	2	121.6758	5.287	6	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6,6]-4:N[6]-3:N-3:	N-3:	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6,6]N[6])(H)2	C[6](C[6,6]C[6]3)(N[6]C[6]O)(NHH){3|C<4>,8|H<1>}	H(NC[6]H)	119.9925	0.043	2	119.9925	0.002	2	119.9925	0.002	2	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	H(NC[6]H)	119.9882	0.014	4	119.9882	0.000	4	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[5,6]C)(NHH){1|C<3>,3|C<4>}	H(NC[6]H)	121.3600	0.113	2	121.3600	0.013	2	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){4|C<3>}	H(NC[6]H)	121.0830	0.329	4	121.0830	0.108	4	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6]H)	119.9817	0.031	3	119.8610	3.021	7	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	118.0500	1.201	2	119.8610	3.021	7	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	121.4910	2.184	2	119.8610	3.021	7	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	H(NC[6]H)	118.7674	1.781	5	118.7674	3.172	5	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	H(NC[6]H)	119.8635	0.489	2	118.8543	2.822	4	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6]H)	117.8450	2.038	2	118.8543	2.822	4	119.8187	2.406	26	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(NHH){1|C<4>,4|H<1>}	H(NC[6]H)	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.7003	6.297	44	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN)	H(NC[6]N)	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN){1|N<3>,2|C<3>}	H(NC[6]N)	120.4990	0.000	1	120.4990	0.000	1	120.9208	0.145	6	120.9208	0.145	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:2:3:	3:	C[6]-3:N-2:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHN)	H(NC[6]N)	N(C[6]N[6]2)(NC)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHN){1|N<2>,2|N<3>}	H(NC[6]N)	121.0052	0.358	5	121.0052	0.128	5	120.9208	0.145	6	120.9208	0.145	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN)	H(NC[6]N)	N(C[6]C[6,6a]2)(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN){1|N<3>,2|H<1>,4|C<3>}	H(NC[6]N)	115.1710	0.000	1	115.1710	0.000	1	115.1710	0.000	1	119.7243	8.912	13	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	H(NC[6]N)	121.1037	0.731	6	121.1037	0.535	6	121.1037	0.535	6	119.7243	8.912	13	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	H(NC[6]N)	122.1350	0.177	3	122.1350	0.031	3	121.3885	2.250	4	119.7243	8.912	13	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	H(NC[6]N)	119.1490	0.000	1	119.1490	0.000	1	121.3885	2.250	4	119.7243	8.912	13	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	H(NC[6]N)	N(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	H(NC[6]N)	114.9940	0.000	1	114.9940	0.000	1	114.9940	0.000	1	119.7243	8.912	13	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	3:3:3:	3:	C[6]-3:N-2:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	119.7243	8.912	13	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO)	H(NC[6]O)	N(C[6]C[6]N[6])(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO){1|C<4>,1|N<2>,2|H<1>}	H(NC[6]O)	121.1340	0.000	1	120.9790	0.023	3	120.9790	0.023	3	120.9790	0.023	3	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	4:3:3:	3:	C[6]-3:O-2:H-1:	C[6]-4:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO)	H(NC[6]O)	N(C[6]C[6]N[6])(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(NHO){1|C<4>,1|N<3>,2|H<1>}	H(NC[6]O)	120.9015	0.103	2	120.9790	0.023	3	120.9790	0.023	3	120.9790	0.023	3	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:2:1:	4:4:3:	3:	C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:	N-3:	N(C[6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO)	H(NC[6]O)	N(C[6]C[5,6]C[6])(OH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO){2|C<3>,2|C<4>,4|H<1>}	H(NC[6]O)	123.2070	0.249	2	123.2070	0.062	2	123.2070	0.062	2	123.2070	0.062	2	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCH)(H)	C[6](N[6]C[6])2(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCH)(H)	C[6](N[6]C[6])2(NCH){1|C<4>,2|C<3>}	H(NC[6]C)	115.0520	0.000	1	115.0520	0.000	1	112.6010	4.713	3	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5,6])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5,6])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6]C)	110.9200	0.000	1	110.9200	0.000	1	112.6010	4.713	3	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5a,6])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[5a,6])(N[6]C[6])(NCH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]C)	111.8310	0.000	1	111.8310	0.000	1	112.6010	4.713	3	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(CCO)(H)	C[6](N[6]N[6])(S[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]S[6])(CCO)(H)	C[6](N[6]N[6])(S[6]C[6])(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.9913	0.890	3	116.9913	0.792	3	116.9111	0.630	8	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){2|C<3>,2|H<1>}	H(NC[6]C)	117.7160	0.284	2	117.0957	1.195	3	116.9111	0.630	8	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]S[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){3|C<3>}	H(NC[6]C)	115.8550	0.000	1	117.0957	1.195	3	116.9111	0.630	8	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(NC[6]C)	116.5140	0.037	2	116.5140	0.001	2	116.9111	0.630	8	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6]-3:C[6a]-3:H-1:	S[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H){2|H<1>,3|C<4>}	H(NC[6a]C[6])	117.5798	1.455	4	117.5798	2.117	4	117.5798	2.117	4	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|H<1>,2|N<3>}	H(NC[6a]C[6])	114.5185	1.416	6	113.7386	7.830	10	113.7386	7.830	10	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|N<3>,1|N<4>}	H(NC[6a]C[6])	106.4510	0.000	1	113.7386	7.830	10	113.7386	7.830	10	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H){1|N<2>,1|N<3>}	H(NC[6a]C[6])	114.8745	0.998	2	113.7386	7.830	10	113.7386	7.830	10	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6])2(NC[6a]H){3|N<3>}	H(NC[6a]C[6])	114.0750	0.000	1	113.7386	7.830	10	113.7386	7.830	10	115.2319	7.430	25	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6]2)	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	115.0956	13.145	7	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H){2|C<3>}	H(NC[6a]C[6])	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	115.0956	13.145	7	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(NC[6a]C[6])	113.4070	3.922	3	113.4070	15.380	3	113.4070	15.380	3	115.0956	13.145	7	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:C[6a]-3:H-1:	S[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	H(NC[6a]C[6])	118.3410	0.000	1	118.3410	0.000	1	118.3410	0.000	1	115.0956	13.145	7	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	2:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NCH)(H)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NCH)(H)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN){1|H<1>,2|C<3>}	H(NC[6]N)	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	115.0956	13.145	7	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	111.5170	0.000	1	111.5170	0.000	1	114.6810	20.022	2	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-2:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	117.8450	0.000	1	117.8450	0.000	1	114.6810	20.022	2	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCN)(H)	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCN)(H)	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NCH){1|C<3>,2|N<3>}	H(NC[6]C)	110.9050	0.000	1	110.9050	0.000	1	115.0187	7.154	6	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CC[5]O)(H)	C[6](N[6]C[6]O)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CC[5]O)(H)	C[6](N[6]C[6]O)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.9700	0.000	1	116.9700	0.000	1	115.0187	7.154	6	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|O<1>}	H(NC[6]C)	117.2960	0.000	1	115.5593	4.624	4	115.0187	7.154	6	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CNO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<4>,2|O<1>}	H(NC[6]C)	114.9803	2.219	3	115.5593	4.624	4	115.0187	7.154	6	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]2)	114.7700	0.000	1	114.7700	0.000	1	116.2667	1.718	3	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Pd)(N[6]C[6])(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Pd)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	117.0150	0.276	2	117.0150	0.076	2	116.2667	1.718	3	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C[6])	119.0960	0.000	1	118.2968	3.572	10	118.3851	3.301	11	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C[6])	118.2080	1.982	9	118.2968	3.572	10	118.3851	3.301	11	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H){1|B<4>,1|H<1>,3|C<3>}	H(NC[6a]C[6])	119.2680	0.000	1	119.2680	0.000	1	118.3851	3.301	11	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	114.2540	0.000	1	114.2540	0.000	1	114.2910	0.003	2	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,2|N<3>}	H(NC[6a]C[6])	114.3280	0.000	1	114.3280	0.000	1	114.2910	0.003	2	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	H(NC[6a]C[6])	117.5525	0.374	2	117.5525	0.140	2	117.5525	0.140	2	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:S[6]-2:N-3:	N-3:	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	H(NC[6a]C[6])	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:O[6]-2:N-3:	N-3:	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H){2|C<3>,2|F<1>}	H(NC[6a]C[6])	112.9960	0.000	1	112.9960	0.000	1	112.9960	0.000	1	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	H(NC[6a]C[6])	118.3553	0.525	3	118.3553	0.276	3	118.3553	0.276	3	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(NOO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	H(NC[6]N)	N(C[6]C[5a,6]N[6])(NOO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]N)	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	H(NC[6]N)	120.4650	5.730	2	120.4650	32.837	2	120.4650	32.837	2	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(NCoC)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NHN)	H(NC[6]N)	N(C[6]N[6]2)(NCoC)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NHN){1|C<3>,2|C<4>}	H(NC[6]N)	121.2400	0.272	2	121.2400	0.074	2	121.3075	0.053	6	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(NFeC)(H)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHN)	H(NC[6]N)	N(C[6]N[6]2)(NFeC)(H)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.3413	0.242	4	121.3413	0.059	4	121.3075	0.053	6	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	H(NC[6a]C[6])	114.4360	0.000	1	114.4360	0.000	1	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|C<4>}	H(NC[6a]C[6])	115.1600	0.604	2	115.3358	0.267	5	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(NC[6a]C[6])	115.1510	0.000	1	115.3358	0.267	5	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	H(NC[6a]C[6])	115.6040	0.682	2	115.3358	0.267	5	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.1442	0.413	5	116.1442	0.171	5	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NC[6a]H){1|C<3>,2|N<3>}	H(NC[6a]C[6])	114.7220	0.000	1	114.7220	0.000	1	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H){1|N<3>,2|C<3>,2|N<2>}	H(NC[6a]C[6])	116.2990	0.000	1	116.2990	0.000	1	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H){5|C<3>}	H(NC[6a]C[6])	118.4720	0.000	1	118.4720	0.000	1	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.7330	0.000	1	115.7330	0.000	1	115.8041	0.988	15	117.0732	7.546	56	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H)	H(NC[5]C[6])	N(C[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[5]C[6])	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]N[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H){1|O<1>,2|C<3>}	H(NC[5a]C[6])	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[5a]N[5a]S[5a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]N[5a]S[5a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H){1|C<3>,2|H<1>}	H(NC[5a]C[6])	116.7625	1.675	2	116.7625	2.806	2	116.7625	2.806	2	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[5a]C[6])	114.7080	0.000	1	114.7080	0.000	1	114.6985	0.000	2	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]H){1|C<3>,1|H<1>,1|O<2>}	H(NC[5a]C[6])	114.6890	0.000	1	114.6890	0.000	1	114.6985	0.000	2	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:B-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BClOs)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BClOs)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH){1|C<3>,2|H<1>}	H(NC[6]B)	120.5400	0.000	1	120.5400	0.000	1	118.8417	6.617	3	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:B-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BOsO)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BOsO)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH){1|C<3>,2|H<1>}	H(NC[6]B)	117.9925	2.985	2	117.9925	8.908	2	118.8417	6.617	3	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	H(NC[6]C)	N(C[6]C[6,6a]2)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	H(NC[6]C)	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	H(NC[6]C)	N(C[6]C[6,6a]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	H(NC[6]C)	117.6300	1.881	2	117.6300	3.538	2	117.6300	3.538	2	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	H(NC[6]C)	113.5710	2.362	2	113.5710	5.578	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(NC[6]C)	115.9000	0.000	1	115.9000	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	117.3800	0.000	1	117.3800	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	116.2706	0.473	5	116.2706	0.224	5	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	120.0053	2.824	3	120.0053	7.974	3	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	H(NC[6]C)	110.2900	0.000	1	110.2900	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]C)	88.3803	0.000	1	88.3803	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	H(NC[6]C)	116.2960	0.000	1	116.2960	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.3090	0.000	1	116.3090	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	H(NC[6]C)	113.9820	0.000	1	115.9368	1.025	15	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	H(NC[6]C)	116.1420	0.000	1	115.9368	1.025	15	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|C<3>}	H(NC[6]C)	115.3060	0.000	1	115.9368	1.025	15	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	116.1352	0.935	12	115.9368	1.025	15	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	H(NC[6]C)	116.4230	0.123	2	116.4230	0.015	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	117.0796	0.601	8	117.0796	0.362	8	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ni<6>,1|C<3>,1|H<1>}	H(NC[6]C)	116.9193	0.222	4	116.9193	0.049	4	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	117.0830	0.000	1	117.0830	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	H(NC[6]C)	116.4173	5.381	3	116.4173	28.952	3	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	118.2100	0.000	1	118.2100	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	117.1380	0.000	1	117.1380	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.3710	0.000	1	115.3710	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]C)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	117.9600	0.279	2	117.9600	0.078	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.2503	3.533	3	117.1711	1.320	55	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	H(NC[6]C)	117.0380	0.000	1	117.1711	1.320	55	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	H(NC[6]C)	117.7462	1.937	6	117.1711	1.320	55	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	H(NC[6]C)	117.1444	0.753	41	117.1711	1.320	55	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	H(NC[6]C)	117.3058	0.270	4	117.1711	1.320	55	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	116.7231	2.399	20	116.7231	5.754	20	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	H(NC[6]C)	116.3210	0.000	1	116.3210	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.1750	0.000	1	116.1750	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6]C)	119.6065	0.858	2	119.6065	0.736	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.5650	0.000	1	116.5650	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.5600	0.000	1	118.5600	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.8987	7.162	3	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]C)	115.5085	3.103	2	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.7884	0.341	10	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cd<6>,1|C<3>,1|H<1>}	H(NC[6]C)	117.5836	0.960	8	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	H(NC[6]C)	116.9830	0.557	4	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<3>,1|C<3>,1|H<1>}	H(NC[6]C)	117.7570	0.000	1	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	H(NC[6]C)	116.4065	0.256	4	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	H(NC[6]C)	118.1500	0.072	2	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|C<4>}	H(NC[6]C)	117.4405	0.464	4	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	H(NC[6]C)	117.0495	0.769	11	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	H(NC[6]C)	117.0257	0.910	6	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<5>,1|C<3>,1|H<1>}	H(NC[6]C)	116.6645	0.426	2	117.0293	2.589	57	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	H(NC[6]C)	116.5740	0.000	1	115.4217	3.512	7	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	115.2297	1.976	6	115.4217	3.512	7	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	H(NC[6]C)	118.5780	0.000	1	118.5780	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CNS)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,2|H<1>}	H(NC[6]C)	113.1130	0.000	1	113.1130	0.000	1	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	H(NC[6]C)	118.2680	2.216	2	118.2680	4.911	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CN[5]O)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	116.4120	0.064	2	116.4120	0.004	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	115.4265	1.385	2	115.4265	1.919	2	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.7702	0.474	6	116.8987	0.310	12	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<4>,1|C<3>,1|H<1>}	H(NC[6]C)	116.2450	0.000	1	116.8987	0.310	12	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<6>,1|C<3>,1|H<1>}	H(NC[6]C)	117.1836	0.583	5	116.8987	0.310	12	116.7181	6.636	219	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	117.0920	0.000	1	115.8925	2.878	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	114.6930	0.000	1	115.8925	2.878	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	113.6730	0.000	1	113.8245	0.046	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	113.9760	0.000	1	113.8245	0.046	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	108.5460	2.184	2	108.5460	4.768	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.5479	2.118	35	118.5479	4.486	35	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.0410	0.000	1	115.0410	0.000	1	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.9206	1.245	5	118.9206	1.551	5	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	116.7685	0.237	2	115.9634	1.655	5	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.4267	1.484	3	115.9634	1.655	5	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.0395	2.186	8	115.0395	4.780	8	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	H(NC[6]C)	112.3395	1.010	2	112.3395	1.021	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.4210	0.820	4	115.4210	0.673	4	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CNO)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	117.0130	0.000	1	117.0130	0.000	1	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CNS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CNS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	114.5345	0.244	2	114.5345	0.060	2	116.9264	8.568	69	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	115.5730	0.000	1	115.5730	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	112.3660	0.000	1	112.3660	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]C)	113.4480	0.000	1	113.4480	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	H(NC[6]C)	117.1090	0.000	1	117.1090	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	115.6567	1.593	7	115.6567	2.539	7	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	115.0140	0.720	4	114.9272	0.427	5	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	114.5800	0.000	1	114.9272	0.427	5	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.0690	1.780	2	116.0690	3.170	2	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	115.2297	0.245	3	115.2297	0.060	3	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.1410	0.000	1	116.1410	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	114.6410	0.000	1	114.6410	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.4020	1.990	2	118.4020	3.959	2	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	114.4927	2.786	7	114.4927	7.764	7	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>}	H(NC[6]C)	116.3120	0.000	1	116.3120	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[5]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	115.7410	0.000	1	115.7410	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.5710	0.000	1	116.5710	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.7950	0.000	1	118.7950	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	114.2310	0.000	1	114.2310	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.7520	0.000	1	115.7520	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	117.9570	0.922	2	117.4557	1.179	3	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	116.4530	0.000	1	117.4557	1.179	3	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	120.9330	0.000	1	120.9330	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]C)	119.2720	0.000	1	120.0968	0.435	6	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	119.6900	0.000	1	120.0968	0.435	6	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CFeO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	120.4048	0.563	4	120.0968	0.435	6	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	H(NC[6]C)	119.6180	0.000	1	119.6180	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CNO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CNO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.4870	0.000	1	116.4870	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CNS)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.8920	2.688	4	116.8920	7.224	4	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	118.6000	0.000	1	118.6000	0.000	1	116.4209	5.782	55	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H)	H(NC[6]2)	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H){2|H<1>,3|C<3>}	H(NC[6]2)	115.7360	0.000	1	115.7360	0.000	1	115.7360	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	H(NC[6]2)	114.3730	2.029	26	114.3730	4.119	26	114.5018	4.409	27	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	117.8520	0.000	1	117.8520	0.000	1	114.5018	4.409	27	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	117.6810	0.000	1	117.6810	0.000	1	117.9473	0.077	3	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]2)	118.0805	0.220	2	118.0805	0.048	2	117.9473	0.077	3	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6]2)	112.5570	0.000	1	112.5570	0.000	1	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.8430	0.000	1	114.8430	0.000	1	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])(C[6]N[6]2)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	116.9725	0.182	2	116.9725	0.033	2	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	112.0891	1.507	8	112.0891	2.272	8	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]2)	114.0165	2.307	2	114.0195	3.602	4	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.0225	2.341	2	114.0195	3.602	4	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]2)	113.0855	0.013	2	114.3749	2.283	30	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.5581	1.578	25	114.3749	2.283	30	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|H<1>,1|N<2>,1|N<3>}	H(NC[6]2)	114.0360	0.000	1	114.3749	2.283	30	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6]2)	113.5440	0.909	2	114.3749	2.283	30	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	113.8677	0.816	3	113.8677	0.667	3	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]2)	113.5880	0.057	2	113.6737	2.129	39	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	113.6783	1.499	37	113.6737	2.129	39	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	113.8395	0.400	2	113.8395	0.160	2	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	113.2535	1.810	11	113.2779	2.935	24	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6]2)	113.2985	1.701	13	113.2779	2.935	24	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]2)	114.3565	0.018	2	114.3565	0.000	2	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.1675	5.148	12	114.1675	26.503	12	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]2)	115.8415	0.620	2	115.0358	2.328	14	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.9015	1.606	12	115.0358	2.328	14	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.5650	2.227	15	114.5650	4.961	15	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.6200	3.596	17	114.6200	12.931	17	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.0430	0.065	2	114.0430	0.004	2	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	115.0699	1.528	7	114.2415	7.490	8	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6]2)	108.4430	0.000	1	114.2415	7.490	8	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	112.5445	3.504	12	113.2817	14.873	14	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	H(NC[6]2)	117.7050	3.555	2	113.2817	14.873	14	113.9940	6.051	198	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(NC[6a]C[6])	116.8780	0.863	10	116.8780	0.745	10	116.8780	0.745	10	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(NC[6a]C[6])	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(NC[6a]C[6])	113.3950	0.000	1	113.3950	0.000	1	117.3542	7.364	5	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6a]C[6])	119.0910	0.000	1	119.1410	1.119	3	117.3542	7.364	5	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C[6])	119.1660	1.495	2	119.1410	1.119	3	117.3542	7.364	5	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(NC[6a]C[6])	115.9530	0.000	1	115.9530	0.000	1	117.3542	7.364	5	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(NC[6a]C[6])	118.8165	0.665	2	118.8165	0.443	2	118.8165	0.443	2	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	H(NC[6a]C[6])	116.5570	0.000	1	116.5570	0.000	1	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	112.6600	3.594	4	113.7564	15.700	5	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(NC[6a]C[6])	118.1420	0.000	1	113.7564	15.700	5	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	118.1670	0.000	1	118.1670	0.000	1	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.1890	0.000	1	117.1890	0.000	1	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.7283	2.484	6	117.1134	6.178	7	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]C[6])	119.4240	0.000	1	117.1134	6.178	7	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	H(NC[6a]C[6])	115.0370	0.000	1	115.0370	0.000	1	115.9704	9.403	16	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	116.9390	2.691	8	116.9190	5.739	10	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.8390	0.981	2	116.9190	5.739	10	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.0100	0.000	1	117.0100	0.000	1	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.2050	0.000	1	116.2050	0.000	1	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	116.3360	1.916	12	116.3360	3.670	12	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	115.1165	0.920	4	115.1165	0.847	4	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	H(NC[6a]C[6])	113.2630	0.000	1	113.2630	0.000	1	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	115.8985	0.913	2	115.8985	0.833	2	116.2569	3.828	31	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(NHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NHN)	H(NC[6]N)	N(C[6]C[5a,6]2)(NHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NHN){1|B<4>,2|H<1>,4|C<3>}	H(NC[6]N)	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	H(NC[6]N)	122.5420	0.000	1	122.5420	0.000	1	122.5420	0.000	1	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	H(NC[6]N)	124.2155	6.640	2	124.2155	44.095	2	124.2155	44.095	2	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(NHH)(H)	C[6](C[6]C[6]H)2(NHN)	H(NC[6]N)	N(C[6]C[6]2)(NHH)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	H(NC[6]N)	120.7110	0.000	1	120.7110	0.000	1	119.6988	10.182	4	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]H)2(NHN)	H(NC[6]N)	N(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	H(NC[6]N)	119.3613	3.820	3	119.3613	14.590	3	119.6988	10.182	4	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NCaC)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NCaC)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	120.3960	1.950	2	120.3960	3.803	2	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	119.6925	1.358	2	119.6925	1.845	2	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHN){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]N)	120.7730	0.317	2	120.7730	0.100	2	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.2295	2.174	4	121.2295	4.727	4	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	120.7945	1.586	4	120.7945	2.515	4	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHN){1|H<1>,2|C<3>}	H(NC[6]N)	121.2547	0.712	12	121.2547	0.506	12	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<2>,2|H<1>}	H(NC[6]N)	127.3590	0.000	1	122.5478	12.154	5	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.3450	2.561	4	122.5478	12.154	5	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	119.9745	0.622	4	119.9745	0.387	4	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NSnC)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NSnC)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	115.7320	0.000	1	115.7320	0.000	1	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]N)	121.9870	0.000	1	121.9596	0.069	5	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.9085	0.018	2	121.9596	0.069	5	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|H<1>,2|C<3>}	H(NC[6]N)	121.9970	0.518	2	121.9596	0.069	5	121.0498	3.424	41	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	111.2350	0.000	1	111.2350	0.000	1	116.3180	8.025	6	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	117.3380	0.000	1	117.3380	0.000	1	116.3180	8.025	6	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.8900	0.000	1	119.8900	0.000	1	116.3180	8.025	6	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:P-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(POO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(POO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	116.4817	0.451	3	116.4817	0.204	3	116.3180	8.025	6	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	H(NC[6a]C[6])	117.0480	0.000	1	117.0480	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	H(NC[6a]C[6])	114.0648	0.509	4	114.0648	0.259	4	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(NC[6a]C[6])	116.3810	0.000	1	116.3810	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]C[6])	115.8710	0.672	2	115.8710	0.451	2	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]C[6])	115.1270	0.000	1	115.1270	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]C[6])	115.4310	0.000	1	115.4310	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|N<2>,2|C<3>}	H(NC[6a]C[6])	114.5950	0.000	1	114.8257	0.326	3	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]C[6])	114.9410	0.757	2	114.8257	0.326	3	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	H(NC[6a]C[6])	115.8978	0.822	4	115.8978	0.675	4	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	H(NC[6a]C[6])	116.2840	0.000	1	116.2840	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(NC[6a]C[6])	114.6330	0.000	1	114.6330	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(NC[6a]C[6])	116.8690	0.000	1	116.6670	5.567	3	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(NC[6a]C[6])	116.5660	3.328	2	116.6670	5.567	3	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	H(NC[6a]C[6])	116.6285	4.233	4	116.6285	17.921	4	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	H(NC[6a]C[6])	116.1628	0.925	4	116.1628	0.855	4	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H){1|C<3>}	H(NC[6a]C[6])	111.7360	0.000	1	111.7360	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	H(NC[6a]C[6])	117.3040	0.000	1	117.3040	0.000	1	115.6618	3.680	32	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	114.7510	0.000	1	114.7510	0.000	1	114.7738	8.264	24	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[6a]C[6])	115.5640	0.000	1	114.5931	9.064	21	114.7738	8.264	24	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6a]C[6])	108.2020	0.000	1	114.5931	9.064	21	114.7738	8.264	24	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	114.8784	2.768	19	114.5931	9.064	21	114.7738	8.264	24	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	116.0370	0.000	1	116.0370	0.000	1	114.7738	8.264	24	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	117.3260	0.000	1	117.3260	0.000	1	114.7738	8.264	24	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	114.6475	4.959	2	114.6475	24.591	2	114.8533	8.951	4	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	114.0360	0.000	1	114.0360	0.000	1	114.8533	8.951	4	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	H(NC[6a]C[6])	116.0820	0.000	1	116.0820	0.000	1	114.8533	8.951	4	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)2(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(NC[6a]C[6])	117.0767	0.847	3	117.0767	0.718	3	117.0767	0.718	3	116.0741	9.125	767	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H){1|O<1>,2|C<3>,3|C<4>}	H(NC[5a]C[6])	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	116.3593	2.042	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:C-3:H-1:	C[5,6]-3:C[6]-4:N-3:	N-3:	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)	H(NC[6]C)	N(C[6]C[5,6]C[6])(CC[6a]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH){1|C<3>,2|H<1>,3|C<4>}	H(NC[6]C)	116.2690	0.000	1	116.2690	0.000	1	116.2690	0.000	1	116.3593	2.042	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(NC[6a]C[6])	115.8800	0.000	1	115.9740	2.316	4	115.9740	2.316	4	116.3593	2.042	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(NC[6a]C[6])	113.8720	0.000	1	115.9740	2.316	4	115.9740	2.316	4	116.3593	2.042	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	H(NC[6a]C[6])	117.0720	0.331	2	115.9740	2.316	4	115.9740	2.316	4	116.3593	2.042	6	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[5a]C[5a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]C[5a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	H(NC[5a]C[6])	114.3580	0.000	1	114.3580	0.000	1	115.9448	1.047	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H)	H(NC[5a]C[6])	N(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H){1|O<1>,3|C<4>}	H(NC[5a]C[6])	116.3415	0.589	4	116.3415	0.347	4	115.9448	1.047	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	H(NC[6]C)	114.3750	0.000	1	114.3750	0.000	1	116.2910	1.616	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	H(NC[6]C)	115.7560	0.000	1	115.7560	0.000	1	116.2910	1.616	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]H)(NCH){1|C<4>,2|C<3>,4|H<1>}	H(NC[6]C)	117.5900	0.000	1	117.5900	0.000	1	116.2910	1.616	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(NCH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(NC[6]C)	117.1460	0.000	1	117.1460	0.000	1	116.2910	1.616	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(NC[6]C)	116.5880	0.000	1	116.5880	0.000	1	116.2910	1.616	5	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	H(NC[6]N)	N(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	H(NC[6]N)	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	114.7910	0.000	1	114.7910	0.000	1	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	118.5970	0.000	1	118.5970	0.000	1	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(NC[6a]C[6])	116.5080	0.000	1	115.2577	3.189	27	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	H(NC[6a]C[6])	116.3603	1.792	4	115.2577	3.189	27	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(NC[6a]C[6])	115.6754	1.831	10	115.2577	3.189	27	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	114.4380	1.563	12	115.2577	3.189	27	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	H(NC[6a]C[6])	115.8060	1.634	5	116.9303	3.795	15	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	H(NC[6a]C[6])	116.3860	0.000	1	116.9303	3.795	15	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	117.6153	1.988	9	116.9303	3.795	15	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	116.0900	0.000	1	116.0900	0.000	1	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	110.7200	0.000	1	110.7200	0.000	1	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	H(NC[6a]C[6])	115.2600	0.000	1	115.2600	0.000	1	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	H(NC[6a]C[6])	115.6860	0.857	2	115.6860	0.734	2	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	H(NC[6a]C[6])	122.3560	0.000	1	122.3560	0.000	1	115.9020	4.926	50	115.9962	4.419	61	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6])2(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6])2(NCH){1|S<2>,2|N<3>}	H(NC[6]C)	117.7625	0.166	2	117.7625	0.028	2	117.7625	0.028	2	117.7820	0.015	3	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:2:3:	3:	C[6]-3:C[6]-4:H-1:	N[6]-2:S[6]-2:N-3:	N-3:	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H)	H(NC[6]2)	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H){2|H<1>,2|N<3>}	H(NC[6]2)	117.8210	0.000	1	117.8210	0.000	1	117.8210	0.000	1	117.7820	0.015	3	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	H(NC[6]C)	128.8310	0.000	1	128.8310	0.000	1	128.8310	0.000	1	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(CC3)(H)	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CC3)(H)	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	114.1400	3.188	2	114.1400	10.161	2	116.0300	15.797	3	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-2:N[6]-3:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH){1|C<3>,2|N<3>}	H(NC[6]C)	119.8100	0.000	1	119.8100	0.000	1	116.0300	15.797	3	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]C)	113.9470	1.969	2	113.9470	3.875	2	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	H(NC[6]C)	114.3200	0.000	1	114.3200	0.000	1	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	H(NC[6]C)	117.6340	0.000	1	117.6340	0.000	1	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]C)	115.9383	2.230	4	115.9383	4.972	4	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]C)	117.6100	0.047	2	116.8696	3.668	9	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	H(NC[6]C)	117.6310	0.000	1	116.8696	3.668	9	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	H(NC[6]C)	116.4958	2.316	6	116.8696	3.668	9	116.2016	4.262	17	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	2:3:3:	3:	C[6]-3:C[6]-4:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]2)	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	116.5318	13.357	22	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[5,6]N[6])(CC[6a]HH)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH){1|C<3>,2|H<1>,2|N<3>}	H(NC[6]C)	118.3850	0.000	1	118.3850	0.000	1	118.1615	0.100	2	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5,6]N[6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[5,6]N[6])(CH3)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH){2|C<4>,2|H<1>,2|N<3>}	H(NC[6]C)	117.9380	0.000	1	117.9380	0.000	1	118.1615	0.100	2	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]C)	118.1450	2.710	3	118.1450	7.346	3	117.7255	3.576	11	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CC[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CC[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]C)	115.6810	0.000	1	115.6810	0.000	1	117.7255	3.576	11	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]C)	114.4300	0.000	1	114.4300	0.000	1	117.7255	3.576	11	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]C)	118.4058	0.738	6	118.4058	0.545	6	117.7255	3.576	11	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6,6a]N[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH){1|H<1>,2|C<3>,2|N<3>}	H(NC[6]C)	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6,6a]O[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6,6a]O[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	H(NC[6]C)	125.5580	0.000	1	125.5580	0.000	1	125.5580	0.000	1	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]C)	115.7150	0.000	1	113.0355	14.359	2	116.6305	5.226	10	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	H(NC[6]C)	110.3560	0.000	1	113.0355	14.359	2	116.6305	5.226	10	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	H(NC[6]C)	117.2470	0.000	1	117.2470	0.000	1	116.6305	5.226	10	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	H(NC[6]C)	117.5696	0.214	7	117.5696	0.046	7	116.6305	5.226	10	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:S[6]-2:N-3:	N-3:	N(C[6]C[6]S[6])(CCCH)(H)	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	H(NC[6]C)	N(C[6]C[6]S[6])(CCCH)(H)	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	H(NC[6]C)	117.7270	0.000	1	117.7270	0.000	1	117.7270	0.000	1	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[5,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5,6]N[6])(CC3)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	H(NC[6]C)	N(C[6]N[5,6]N[6])(CC3)(H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(NC[6]C)	116.8860	0.194	2	116.8860	0.038	2	116.8860	0.038	2	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5a,6]N[6])(CC3)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	H(NC[6]C)	N(C[6]N[5a,6]N[6])(CC3)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	H(NC[6]C)	117.1700	0.000	1	117.1700	0.000	1	113.2385	30.913	2	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	H(NC[6]C)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	H(NC[6]C)	109.3070	0.000	1	109.3070	0.000	1	113.2385	30.913	2	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6,6]N[6])(CCCH)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH)	H(NC[6]C)	N(C[6]N[6,6]N[6])(CCCH)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	H(NC[6]C)	117.4620	0.000	1	117.4620	0.000	1	117.4620	0.000	1	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCCH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCCH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH){2|C<3>,2|O<1>}	H(NC[6]C)	120.4780	0.000	1	120.4780	0.000	1	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCCH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCCH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,1|N<3>,1|S<2>}	H(NC[6]C)	118.2600	0.334	2	118.2600	0.111	2	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]C)(N[6]C[6])(NCH){1|C<4>,4|H<1>}	H(NC[6]C)	119.8695	0.245	2	119.8695	0.060	2	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	117.9380	0.000	1	117.9380	0.000	1	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.3350	0.404	2	118.7704	0.318	12	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	H(NC[6]C)	118.4238	0.327	5	118.7704	0.318	12	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CCHH)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	H(NC[6]C)	119.2912	0.378	5	118.7704	0.318	12	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CH3)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CH3)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	113.8560	0.000	1	113.8560	0.000	1	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(CHHP)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]2)(CHHP)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	117.0550	0.000	1	117.0550	0.000	1	118.5416	1.909	20	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:O[6]-2:N-3:	N-3:	N(C[6]N[6]O[6])(CCHH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(NCH)	H(NC[6]C)	N(C[6]N[6]O[6])(CCHH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	H(NC[6]C)	118.2030	0.000	1	118.2030	0.000	1	118.2030	0.000	1	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(PCoCC)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NHP)	H(NC[6]P)	N(C[6]N[6]2)(PCoCC)(H)	C[6](N[6]C[6]Co)(N[6]C[6])(NHP){1|C<3>,2|N<2>}	H(NC[6]P)	118.9290	0.000	1	118.9290	0.000	1	119.0489	2.198	15	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(PFeCC)(H)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP)	H(NC[6]P)	N(C[6]N[6]2)(PFeCC)(H)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP){1|Cl<1>,1|C<3>,1|N<3>}	H(NC[6]P)	119.2957	0.799	3	119.2957	0.639	3	119.0489	2.198	15	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(PIrCC)(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP)	H(NC[6]P)	N(C[6]N[6]2)(PIrCC)(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP){1|C<3>,1|N<2>,1|N<3>}	H(NC[6]P)	119.6972	0.335	6	119.5687	0.209	7	119.0489	2.198	15	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(PIrCC)(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP)	H(NC[6]P)	N(C[6]N[6]2)(PIrCC)(H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NHP){1|C<3>,2|N<2>}	H(NC[6]P)	118.7980	0.000	1	119.5687	0.209	7	119.0489	2.198	15	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(PNiCC)(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP)	H(NC[6]P)	N(C[6]N[6]2)(PNiCC)(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP){1|C<4>,2|N<2>}	H(NC[6]P)	117.1130	3.871	2	117.9840	7.206	4	119.0489	2.198	15	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(PNiCC)(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP)	H(NC[6]P)	N(C[6]N[6]2)(PNiCC)(H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NHP){1|N<2>,2|N<3>}	H(NC[6]P)	118.8550	1.898	2	117.9840	7.206	4	119.0489	2.198	15	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:S-4:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(SC[6a]OO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHS)	H(NC[6]S)	N(C[6]N[6]2)(SC[6a]OO)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHS){1|C<3>,2|C<4>}	H(NC[6]S)	118.9281	2.465	7	118.9281	6.077	7	118.9281	6.077	7	118.1554	5.056	74	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]B)	114.4080	3.253	2	114.4080	10.580	2	112.8612	5.369	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BC[6a]2H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]2H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]B)	111.1820	0.000	1	111.1820	0.000	1	112.8612	5.369	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BC[6a]3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]B)	112.1540	1.513	2	112.1540	2.290	2	112.8612	5.369	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	H(NC[6]B)	113.4910	0.000	1	113.4910	0.000	1	114.5095	2.075	2	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:B-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BC[6a]3)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]3)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	H(NC[6]B)	115.5280	0.000	1	115.5280	0.000	1	114.5095	2.075	2	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(CCHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	H(NC[6]C)	N(C[6]C[5a,6]2)(CCHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	H(NC[6]C)	116.1350	0.484	2	116.1350	0.234	2	115.8720	0.324	3	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N-3:	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	H(NC[6]C)	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	H(NC[6]C)	115.3460	0.000	1	115.3460	0.000	1	115.8720	0.324	3	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CC3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CC3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6]C)	115.9320	0.000	1	115.9320	0.000	1	117.2868	0.915	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]C)	117.5790	1.052	2	117.7280	0.620	3	117.2868	0.915	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(NC[6]C)	118.0260	0.000	1	117.7280	0.620	3	117.2868	0.915	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(NC[6]C)	117.3180	0.000	1	117.3180	0.000	1	117.2868	0.915	5	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	H(NC[6]C)	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	H(NC[6]C)	120.2920	0.403	2	119.4840	2.040	3	121.0293	16.179	8	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	H(NC[6]C)	N(C[6]C[6,6a]2)(CCCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|O<2>,2|H<1>,4|C<3>}	H(NC[6]C)	117.8680	0.000	1	119.4840	2.040	3	121.0293	16.179	8	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N-3:	N(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	H(NC[6]C)	N(C[6]C[6,6a]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	H(NC[6]C)	121.9564	4.942	5	121.9564	24.427	5	121.0293	16.179	8	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	H(NC[6]C)	118.0157	0.930	4	118.0157	0.866	4	118.0157	0.866	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	H(NC[6]C)	114.3060	0.000	1	115.0917	0.808	3	116.0422	4.153	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	H(NC[6]C)	114.8970	0.000	1	115.0917	0.808	3	116.0422	4.153	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6,6a]N[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	H(NC[6]C)	116.0720	0.000	1	115.0917	0.808	3	116.0422	4.153	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6,6a]N[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	H(NC[6]C)	118.8940	0.000	1	118.8940	0.000	1	116.0422	4.153	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	H(NC[6]C)	111.7820	0.000	1	111.7820	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	116.1453	0.880	3	116.1453	0.774	3	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	113.5695	0.104	2	113.5695	0.011	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	110.4780	2.563	2	110.4780	6.567	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	118.1720	1.247	5	118.1720	1.554	5	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	112.1170	4.163	2	112.1170	17.334	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	H(NC[6]C)	117.7190	0.000	1	117.7190	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6]C)	113.9145	5.276	2	115.9952	4.963	34	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]C)	115.8765	3.897	2	115.9952	4.963	34	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	116.3371	1.888	21	115.9952	4.963	34	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]C)	116.3440	1.867	3	115.9952	4.963	34	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	H(NC[6]C)	115.3572	2.389	6	115.9952	4.963	34	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]C)	119.8880	0.000	1	118.4573	1.698	3	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	117.7420	0.570	2	118.4573	1.698	3	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	118.5920	0.000	1	118.5920	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5]HH)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	117.3800	0.000	1	117.3800	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	114.9230	0.000	1	114.9230	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[5a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	114.6870	0.000	1	114.6870	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	116.1745	1.385	2	116.1745	1.919	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	114.3255	0.228	2	114.3255	0.052	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	114.9160	0.031	2	114.9160	0.001	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	118.2900	0.567	2	118.2900	0.322	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	116.7037	0.577	4	116.7037	0.333	4	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.0175	0.004	2	118.5460	0.549	5	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cu<4>,1|C<3>,1|H<1>}	H(NC[6]C)	118.8983	0.795	3	118.5460	0.549	5	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	119.8410	0.000	1	119.8410	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	114.7210	0.000	1	114.7210	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	106.6720	0.000	1	106.6720	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	119.0550	0.000	1	119.0550	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	H(NC[6]C)	115.4980	0.000	1	115.4980	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	118.0840	1.114	2	118.3268	0.560	4	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	H(NC[6]C)	118.5695	0.449	2	118.3268	0.560	4	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)2(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	H(NC[6]C)	115.7160	0.000	1	115.7160	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ag<3>,1|C<3>,1|H<1>}	H(NC[6]C)	117.9120	0.000	1	117.9120	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	117.5240	0.491	2	117.5240	0.241	2	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CHPP)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.1520	0.000	1	118.1520	0.000	1	116.2363	6.654	88	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(NC[6]C)	114.8610	0.000	1	114.8610	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.4810	0.000	1	118.4810	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	113.7060	0.000	1	113.7060	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.2693	5.221	7	116.2693	27.261	7	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	H(NC[6]C)	116.8050	0.000	1	116.8050	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.6986	3.008	5	118.6986	9.045	5	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	H(NC[6]C)	115.9790	0.000	1	115.9790	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]HN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]HN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.4770	0.000	1	116.4770	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]HP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]HP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.5190	0.000	1	115.5190	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	114.5635	3.342	2	114.5635	11.172	2	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]C)	116.6710	0.000	1	116.5250	0.038	3	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	H(NC[6]C)	116.4520	0.209	2	116.5250	0.038	3	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.0020	0.000	1	115.0020	0.000	1	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CHPP)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.6673	0.805	3	116.6673	0.648	3	116.5326	9.718	28	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC3)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	111.9030	0.000	1	111.9030	0.000	1	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	119.3140	0.000	1	119.3140	0.000	1	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	115.5135	0.878	4	115.5135	0.771	4	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.0693	1.496	3	116.0693	2.239	3	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.8850	0.000	1	115.8850	0.000	1	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	116.4687	2.180	6	116.4687	4.752	6	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.1100	0.205	2	116.1100	0.042	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.2515	0.056	2	116.2515	0.003	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	116.0180	0.256	2	116.0180	0.066	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	121.5475	2.232	2	121.5475	4.983	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	122.7820	0.000	1	122.7820	0.000	1	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	107.6510	0.000	1	107.6510	0.000	1	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	H(NC[6]C)	112.9870	0.000	2	112.9870	0.000	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]C)	115.2260	0.000	1	115.2260	0.000	1	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<4>}	H(NC[6]C)	118.3270	0.054	2	118.3270	0.003	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	123.8930	3.924	2	123.8930	15.401	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	123.0140	13.233	2	123.0140	175.107	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	118.1855	0.386	4	118.1855	0.149	4	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.4280	0.720	2	118.4280	0.518	2	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	118.5597	3.008	3	118.5597	9.045	3	117.3502	15.711	44	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[3]-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(C[3]C[3]2H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	H(NC[3]C[6])	N(C[6]C[6]N[6])(C[3]C[3]2H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	H(NC[3]C[6])	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C[3x6]-4:H-1:	C[6,6a]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	H(NC[3x6]C[6])	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	H(NC[3x6]C[6])	114.4400	0.000	1	114.4400	0.000	1	114.4400	0.000	1	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:N-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NReCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NReCH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(PC[6a]2O)(H)	C[6](C[6]C[6]H)2(NHP)	H(NC[6]P)	N(C[6]C[6]2)(PC[6a]2O)(H)	C[6](C[6]C[6]H)2(NHP){1|N<3>,2|H<1>}	H(NC[6]P)	113.0990	0.000	1	113.0990	0.000	1	116.1924	0.953	17	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Cd<6>,1|C<3>,1|H<1>}	H(NC[6]P)	116.4281	0.671	8	116.3857	0.339	16	116.1924	0.953	17	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]2)(PNNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Co<6>,1|C<3>,1|H<1>}	H(NC[6]P)	116.3432	0.522	8	116.3857	0.339	16	116.1924	0.953	17	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	113.2230	0.061	2	113.2230	0.004	2	116.0757	10.891	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCW)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCW)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	118.9285	0.342	2	118.9285	0.117	2	116.0757	10.891	4	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	H(NC[6]P)	115.2230	0.000	1	115.2230	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	115.4550	3.149	2	115.4550	9.919	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	115.6520	0.413	3	115.6520	0.170	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	110.0160	0.000	1	110.0160	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	111.5110	0.000	1	111.5110	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[5]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[5]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	115.8990	0.000	1	115.8990	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	H(NC[6]P)	122.5900	0.000	1	122.5900	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	122.4195	3.026	2	122.4195	9.155	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.5140	1.629	3	119.5140	2.655	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.9568	0.192	6	119.5447	8.393	13	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	119.1914	4.055	7	119.5447	8.393	13	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	120.5225	0.211	2	120.5225	0.045	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	117.8680	0.000	1	117.8680	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	111.8725	0.500	2	111.8725	0.250	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	120.6230	3.318	2	120.6230	11.007	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	119.8910	0.000	1	119.8910	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	119.1590	0.335	2	119.5828	0.318	6	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.7947	0.559	4	119.5828	0.318	6	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2S)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2S)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	117.6200	0.000	1	117.6200	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	118.8273	1.517	9	118.8273	2.301	9	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	115.7750	0.000	1	116.7680	0.944	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	117.2645	0.640	2	116.7680	0.944	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCuCC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCuCC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	118.9895	0.021	2	118.9895	0.000	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.4178	4.113	29	119.1710	15.106	35	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	116.9827	3.253	3	119.1710	15.106	35	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|Cl<1>,1|N<2>,1|N<3>}	H(NC[6]P)	118.9730	1.109	3	119.1710	15.106	35	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PFeOO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PFeOO)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	122.9260	0.000	1	122.9260	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	117.1630	0.000	1	117.1630	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	118.1320	1.279	7	118.1320	1.636	7	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PNOO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PNOO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	110.3170	2.274	2	110.3170	5.171	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	H(NC[6]P)	122.3260	0.000	1	122.3260	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	120.7880	0.000	1	117.3775	12.882	4	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	112.5590	0.000	1	117.3775	12.882	4	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<4>,1|H<1>,1|N<2>}	H(NC[6]P)	118.0815	1.675	2	117.3775	12.882	4	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	117.3117	3.801	3	117.3117	14.447	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PPdOO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PPdOO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.8685	0.347	4	119.8685	0.120	4	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PPtCC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PPtCC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	119.7650	0.000	1	119.7650	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	111.1715	6.061	2	111.1715	36.731	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PRhCC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PRhCC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	119.0420	0.000	1	119.5969	0.157	7	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PRhCC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PRhCC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.6893	0.342	6	119.5969	0.157	7	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	119.1320	1.711	2	119.3170	1.567	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	H(NC[6]P)	119.6870	0.000	1	119.3170	1.567	3	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PRuOO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PRuOO)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	119.7500	0.008	2	119.7500	0.000	2	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PSeCC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PSeCC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	113.8820	0.000	1	113.8820	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PSeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PSeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	109.4180	0.000	1	109.4180	0.000	1	118.4024	12.183	132	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6]H)2(NHS)	H(NC[6]S)	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6]H)2(NHS){1|N<3>,2|H<1>}	H(NC[6]S)	117.8138	3.621	6	117.8138	13.114	6	117.8138	13.114	6	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	H(NC[6]S)	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]S)	120.9027	5.732	4	120.0002	22.586	6	119.9957	18.822	7	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	H(NC[6]S)	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,2|H<1>}	H(NC[6]S)	118.1950	2.140	2	120.0002	22.586	6	119.9957	18.822	7	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS)	H(NC[6]S)	N(C[6]C[6]N[6])(SC[6a]OO)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS){2|H<1>,4|C<3>}	H(NC[6]S)	119.9690	0.000	1	119.9690	0.000	1	119.9957	18.822	7	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	N[5,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH)	H(NC[6]Si)	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH){1|H<1>,2|C<4>,3|C<3>}	H(NC[6]Si)	115.6340	0.000	1	115.6340	0.000	1	115.6340	0.000	1	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH)	H(NC[6]Si)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]Si)	115.2500	0.000	1	115.2500	0.000	1	115.0533	22.848	6	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	H(NC[6]Si)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]Si)	114.3197	0.904	3	114.3197	0.818	3	115.0533	22.848	6	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SiC[6a]2Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NSiH)	H(NC[6]Si)	N(C[6]C[6]N[6])(SiC[6a]2Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NSiH){1|C<3>,2|H<1>}	H(NC[6]Si)	116.0555	10.438	2	116.0555	108.944	2	115.0533	22.848	6	117.3355	11.649	367	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	H(NC[6]C)	114.7490	1.966	3	114.7490	3.866	3	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(NC[6]C)	108.1440	0.000	1	112.1060	31.395	2	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(NC[6]C)	116.0680	0.000	1	112.1060	31.395	2	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	H(NC[6]C)	117.9410	0.000	1	117.9410	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	H(NC[6]C)	116.8450	0.000	1	116.8450	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(NC[6]C)	115.8060	0.000	1	115.8060	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	H(NC[6]C)	117.2370	0.000	1	117.2370	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	H(NC[6]C)	117.5740	0.000	1	117.5740	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	H(NC[6]C)	116.2270	0.000	1	116.2270	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(NC[6]C)	116.9340	0.000	1	116.9340	0.000	1	115.5852	7.412	12	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:P-4:H-1:	C[6]-4:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PNiCC)(H)	C[6](C[6]C[6]CC)(N[6]C[6]Ni)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	119.6902	0.754	4	119.6902	0.568	4	119.6902	0.568	4	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS)	H(NC[6]S)	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(NHS){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(NC[6]S)	118.1380	0.000	1	118.1380	0.000	1	118.1380	0.000	1	116.7013	8.499	17	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:5:1:	3:3:3:	3:	C[6]-3:P-5:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2CuS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2CuS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	116.1260	0.000	1	116.1260	0.000	1	115.2240	1.627	2	115.2240	1.627	2	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	3:5:1:	3:3:3:	3:	C[6]-3:P-5:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2PdS)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2PdS)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	114.3220	0.000	1	114.3220	0.000	1	115.2240	1.627	2	115.2240	1.627	2	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	113.9220	0.000	1	113.9220	0.000	1	113.9220	0.000	1	118.5130	10.352	4	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]2H)(C[6]N[6]2)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]N[6]2)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NC[6]H){1|N<2>,1|N<3>,1|O<2>}	H(NC[6]2)	118.6400	0.000	1	118.6400	0.000	1	118.6400	0.000	1	118.5130	10.352	4	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:2:3:	3:	P-4:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(PC[6a]2Fe)(C[6]N[6]2)(H)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP)	H(NC[6]P)	N(PC[6a]2Fe)(C[6]N[6]2)(H)	C[6](N[6]C[6]Fe)(N[6]C[6])(NHP){1|N<2>,1|N<3>,1|O<2>}	H(NC[6]P)	120.7450	0.006	2	120.7450	0.000	2	120.7450	0.000	2	118.5130	10.352	4	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[5]C[5]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H)	H(NC[5]C[6])	N(C[5]C[5]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[5]C[6])	118.4280	2.761	2	118.4280	7.621	2	118.4280	7.621	2	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[5]C[5,6a]N[5]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H)	H(NC[5]C[6])	N(C[5]C[5,6a]N[5]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[5]C[6])	117.7640	0.000	1	117.7640	0.000	1	117.7640	0.000	1	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	H(NC[6]2)	114.3450	0.000	1	114.3450	0.000	1	116.2794	2.738	8	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H){1|O<1>,2|C<3>}	H(NC[6]2)	116.5910	0.000	1	116.5910	0.000	1	116.2794	2.738	8	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	H(NC[6]2)	113.8780	0.000	1	113.8780	0.000	1	116.2794	2.738	8	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]2)	116.2595	0.443	2	116.2595	0.197	2	116.2794	2.738	8	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]2)	117.6340	1.388	3	117.6340	1.928	3	116.2794	2.738	8	116.8050	3.518	11	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP2_SP-NON_SP2	N	C[6]	H	4:3:1:	4:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	H(NC[6]2)	117.7630	0.431	2	117.7630	0.186	2	117.7630	0.186	2	117.7630	0.186	2	118.8525	8.377	5838	118.8534	8.373	5842
956	762	951	0:SP3_SP-NON_SP2	N	C[6,6]	H	3:1:1:	4:3:3:	3:	C[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:N-3:	N-3:	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH)	H(NC[6,6]H)	N(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(NHH){1|N<2>,1|O<2>,4|C<4>}	H(NC[6,6]H)	119.0975	0.688	2	119.0975	0.473	2	119.0975	0.473	2	119.0975	0.473	2	119.0975	0.473	2	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	2:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|O<1>}	H(NC[6]H)	114.6340	0.461	2	114.6340	0.213	2	114.6340	0.213	2	114.6340	0.213	2	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	110.0155	0.206	2	110.0155	0.042	2	114.7327	12.357	18	114.7327	12.357	18	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	115.5765	5.201	6	115.5765	27.048	6	114.7327	12.357	18	114.7327	12.357	18	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	2:3:3:	3:	C[6]-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	H(NC[6]H)	115.1699	1.637	10	115.1699	2.678	10	114.7327	12.357	18	114.7327	12.357	18	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,1|N<3>,2|C<4>}	H(NC[6]H)	119.5035	0.906	2	113.0033	25.750	6	113.0033	25.750	6	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	H(NC[6]H)	109.7532	0.625	4	113.0033	25.750	6	113.0033	25.750	6	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){4|C<3>}	H(NC[6]H)	110.4915	0.609	2	110.4915	0.371	2	110.9405	9.275	10	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	109.1393	0.865	4	109.1393	0.747	4	110.9405	9.275	10	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	H(NC[6]H)	109.5895	0.558	2	109.5895	0.311	2	110.9405	9.275	10	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N-3:	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	116.3430	2.268	2	116.3430	5.146	2	110.9405	9.275	10	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:S[6]-2:N-3:	N-3:	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH)	H(NC[6]H)	N(C[6]C[6]S[6])(H)2	C[6](C[6]C[6]C)(S[6]C[6])(NHH){1|H<1>,1|S<2>,2|C<3>}	H(NC[6]H)	119.0430	0.727	2	119.0430	0.528	2	119.0430	0.528	2	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[5a,6]Pd)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	H(NC[6]H)	118.2695	1.890	2	118.2695	3.572	2	116.3442	25.303	12	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	H(NC[6]H)	121.5880	0.167	2	117.4251	25.699	8	116.3442	25.303	12	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	119.0240	1.769	2	117.4251	25.699	8	116.3442	25.303	12	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	114.5443	5.881	4	117.4251	25.699	8	116.3442	25.303	12	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:2:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH)	H(NC[6]H)	N(C[6]N[6]2)(H)2	C[6](N[6]C[6]Ru)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	110.0950	0.037	2	110.0950	0.001	2	116.3442	25.303	12	114.0547	24.392	30	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(NC[6]H)	118.3385	2.147	2	118.3385	4.612	2	118.3385	4.612	2	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	110.2921	3.594	10	110.2921	12.915	10	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	117.1292	2.205	4	116.1271	8.758	34	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	117.0384	2.155	18	116.1271	8.758	34	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	H(NC[6]H)	117.2305	1.397	2	116.1271	8.758	34	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	H(NC[6]H)	114.8872	2.919	8	116.1271	8.758	34	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	H(NC[6]H)	109.7765	4.414	2	116.1271	8.758	34	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	116.6477	3.671	16	116.6477	13.478	16	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	120.5950	1.546	2	119.4473	3.964	6	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	H(NC[6]H)	118.8735	2.120	4	119.4473	3.964	6	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	H(NC[6]H)	110.8810	2.051	2	110.8810	4.205	2	115.5302	16.018	68	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	H(NC[6]H)	116.6260	4.718	2	116.6260	22.258	2	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	120.6270	3.452	2	120.6270	11.917	2	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	116.7285	3.931	2	120.7285	51.414	6	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	122.7285	8.034	4	120.7285	51.414	6	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	117.0954	2.735	8	117.3532	10.546	52	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]H)	117.2806	3.283	30	117.3532	10.546	52	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	118.1753	5.630	6	117.3532	10.546	52	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	H(NC[6]H)	117.5260	0.536	4	117.3532	10.546	52	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	H(NC[6]H)	118.2750	0.341	2	117.3532	10.546	52	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	H(NC[6]H)	115.7410	1.287	2	117.3532	10.546	52	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	116.1215	2.557	4	116.1215	6.540	4	117.6626	14.451	66	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:N-3:	N-3:	N(C[6]N[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]N[6,6]C[6])(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(NC[6]H)	114.4350	0.837	2	114.4350	0.701	2	114.4350	0.701	2	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	H(NC[6]H)	109.9995	0.998	2	109.9995	0.995	2	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	H(NC[6]H)	109.4155	0.347	2	109.4155	0.121	2	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	109.2250	0.278	4	109.2250	0.077	4	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	117.1945	3.345	2	117.1945	11.191	2	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	H(NC[6]H)	122.1285	3.068	2	118.7180	11.155	6	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	H(NC[6]H)	117.0127	1.955	4	118.7180	11.155	6	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]H)	117.5853	2.281	6	117.5853	5.201	6	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:3:3:	3:	C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	H(NC[6]H)	116.3090	7.115	2	116.3090	50.622	2	115.0232	22.905	24	116.3450	17.152	162	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	3:4:3:	3:	C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	H(NC[6]H)	120.4635	5.006	2	120.4635	25.056	2	120.4635	25.056	2	120.4635	25.056	2	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(NC[6]H)	113.2620	4.395	2	113.2620	19.319	2	113.2620	19.319	2	117.7422	15.520	8	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){1|C<4>,3|C<3>}	H(NC[6]H)	120.7205	2.876	2	120.7205	8.270	2	119.2357	7.159	6	117.7422	15.520	8	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:1:1:	4:3:3:	3:	C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	H(NC[6]H)	N(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	H(NC[6]H)	118.4932	2.640	4	118.4932	6.969	4	119.2357	7.159	6	117.7422	15.520	8	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]C[5a,6]N[6])(NOO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	H(NC[6]N)	N(C[6]C[5a,6]N[6])(NOO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|N<2>,2|C<3>,2|H<1>}	H(NC[6]N)	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.7870	0.034	3	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){1|Ni<6>,1|H<1>,3|C<3>}	H(NC[6]N)	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	119.7870	0.034	3	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	H(NC[6a]C[6])	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.7870	0.034	3	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.4655	2.269	2	114.4655	5.149	2	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	112.7167	2.606	10	112.7167	6.789	10	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	105.1715	0.520	4	105.1715	0.271	4	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	110.8780	9.907	2	110.8780	98.140	2	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	114.0195	1.792	4	114.0195	3.212	4	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	110.0725	3.567	4	110.0725	12.727	4	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]N[6])2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	H(NC[6]2)	112.6336	0.634	5	112.6336	0.402	5	111.5508	14.929	31	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){1|H<1>,3|C<3>}	H(NC[6]N)	111.9710	0.000	1	113.7995	6.687	2	113.7995	6.687	2	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NNiC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){2|H<1>,3|C<3>}	H(NC[6]N)	115.6280	0.000	1	113.7995	6.687	2	113.7995	6.687	2	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.9320	0.000	1	121.9320	0.000	1	122.3410	0.133	3	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	122.6300	0.000	1	122.6300	0.000	1	122.3410	0.133	3	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NSnC)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NSnC)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	122.4610	0.000	1	122.4610	0.000	1	122.3410	0.133	3	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	H(NC[6a]C[6])	109.5470	0.000	1	109.5470	0.000	1	108.7720	1.201	2	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	H(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	H(NC[6a]C[6])	107.9970	0.000	1	107.9970	0.000	1	108.7720	1.201	2	112.3748	21.759	38	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5a,6]N[6])(CC3)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	H(NC[6]C)	N(C[6]N[5a,6]N[6])(CC3)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	H(NC[6]C)	106.2680	0.000	1	106.2680	0.000	1	110.9410	43.674	2	112.4600	28.759	3	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:C-4:H-1:	N[5a,6]-3:N[6]-2:N-3:	N-3:	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	H(NC[6]C)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	H(NC[6]C)	115.6140	0.000	1	115.6140	0.000	1	110.9410	43.674	2	112.4600	28.759	3	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:2:3:	3:	C[6]-3:N-4:H-1:	C[6,6a]-3:N[6]-2:N-3:	N-3:	N(C[6]C[6,6a]N[6])(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	H(NC[6]N)	N(C[6]C[6,6a]N[6])(NH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	H(NC[6]N)	115.4980	0.000	1	115.4980	0.000	1	115.4980	0.000	1	112.4600	28.759	3	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	114.4655	3.606	2	114.4655	13.000	2	114.4655	13.000	2	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	H(NC[6]C)	113.0520	0.000	1	113.0520	0.000	1	113.3844	1.786	8	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CCHH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	113.1040	1.175	4	113.1040	1.380	4	113.3844	1.786	8	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CC[6a]IrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	115.5580	0.000	1	115.5580	0.000	1	113.3844	1.786	8	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CH3)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	H(NC[6]C)	111.8090	0.000	1	111.8090	0.000	1	113.3844	1.786	8	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]N[6])(CHHP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	H(NC[6]C)	114.2400	0.000	1	114.2400	0.000	1	113.3844	1.786	8	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:N-4:H-1:	C[6]-3:N[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(NH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	H(NC[6]N)	N(C[6]C[6]N[6])(NH3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	H(NC[6]N)	121.6910	0.000	1	121.6910	0.000	1	121.6910	0.000	1	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	113.2940	0.000	1	113.2940	0.000	1	115.4592	9.781	6	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	110.3670	0.000	1	110.3670	0.000	1	115.4592	9.781	6	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PC[6a]2S)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PC[6a]2S)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	H(NC[6]P)	115.9520	0.000	1	115.9520	0.000	1	115.4592	9.781	6	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	H(NC[6]P)	116.3510	0.000	1	117.3895	2.157	2	115.4592	9.781	6	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	118.4280	0.000	1	117.3895	2.157	2	115.4592	9.781	6	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:P-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	H(NC[6]P)	N(C[6]C[6]N[6])(PMoCC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]P)	118.3630	0.000	1	118.3630	0.000	1	115.4592	9.781	6	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6]H)2(NHS)	H(NC[6]S)	N(C[6]C[6]2)(SC[6a]OO)(H)	C[6](C[6]C[6]H)2(NHS){1|N<3>,2|H<1>}	H(NC[6]S)	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	3:3:3:	3:	C[6]-3:Si-4:H-1:	N[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	H(NC[6]Si)	N(C[6]C[6]N[6])(SiC3)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	H(NC[6]Si)	113.6410	0.000	1	113.6410	0.000	1	113.6410	0.000	1	114.7725	8.071	19	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	H(NC[6]C)	N(C[6]C[6]2)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(NC[6]C)	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	116.4580	2.495	2	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	3:4:1:	4:3:3:	3:	C[6]-3:S-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6]2)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	H(NC[6]S)	N(C[6]C[6]2)(SCOO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	H(NC[6]S)	117.5750	0.000	1	117.5750	0.000	1	117.5750	0.000	1	116.4580	2.495	2	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(NC[6]2)	110.7340	0.000	1	110.7340	0.000	1	110.0240	1.008	2	110.0240	1.008	2	115.3892	19.537	289	115.4147	19.498	291
956	762	951	0:SP3_SP-NON_SP2	N	C[6]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	H(NC[6]2)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	H(NC[6]2)	109.3140	0.000	1	109.3140	0.000	1	110.0240	1.008	2	110.0240	1.008	2	115.3892	19.537	289	115.4147	19.498	291