762	490	658	0:SP2_SP3_SP3	C[6]	C	Si[6]	4:3:4:	3:4:1:1:	3:3:4:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:Ge-4:Ge-4:	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]C)2(GeC3)2	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]C)2(GeC3)2{1|Si<4>,2|C<4>}	115.1385	0.828	2	115.1385	0.686	2	115.1385	0.686	2	115.0863	0.488	4	115.2648	0.650	6	115.2648	0.650	6
762	490	658	0:SP2_SP3_SP3	C[6]	C	Si[6]	4:3:4:	3:4:1:1:	3:3:4:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:Si-4:Si-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]C)2(SiC3)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]C)2(SiC3)2{1|Si<4>,2|C<4>}	115.0340	0.875	2	115.0340	0.766	2	115.0340	0.766	2	115.0863	0.488	4	115.2648	0.650	6	115.2648	0.650	6
762	490	658	0:SP2_SP3_SP3	C[6]	C	Si[6]	4:3:4:	3:4:1:1:	4:3:4:1:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:Si-4:H-1:	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H)	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]HH)(C[6]C[6]C)(SiC3)(H){1|Si<4>,3|C<4>}	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	115.2648	0.650	6	115.2648	0.650	6
762	490	658	0:SP2_SP3_SP3	C[6]	C	Si[6]	4:3:4:	3:4:1:1:	4:3:4:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	Si[6](C[6]C[6]CC)(C[6]C[6]C)(CC3)2{1|Si<4>,1|C<4>,2|H<1>}	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	115.2648	0.650	6	115.2648	0.650	6
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3)	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>}	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	121.6510	0.000	1	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6])(CCCO)(H)2	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3)	C(C[6]C[5a,6]C[6])(F)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3){1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6])(F)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C){2|H<1>,3|C<3>}	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	120.2445	12.613	6	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	116.8695	0.746	2	116.8695	0.557	2	118.3410	6.774	3	120.2445	12.613	6	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	121.2840	0.000	1	121.2840	0.000	1	118.3410	6.774	3	120.2445	12.613	6	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	124.3180	0.000	1	124.3180	0.000	1	124.3180	0.000	1	120.2445	12.613	6	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C){1|O<1>,1|P<4>,3|C<3>}	124.2810	0.000	1	124.2810	0.000	1	124.2810	0.000	1	120.2445	12.613	6	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	C(C[6]C[5a,6]C[5,6])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[5a,6]C[5,6])(H)3	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	C(C[6]C[5a,6]2)(F)3	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(F)3	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	118.6744	1.687	8	118.7468	2.677	10	118.7468	2.677	10	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	C(C[6]C[5a,6]2)(F)3	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(F)3	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	119.0365	1.992	2	118.7468	2.677	10	118.7468	2.677	10	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	116.9990	2.833	2	116.9990	8.024	2	116.9990	8.024	2	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	121.1455	2.184	2	121.1455	4.771	2	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	119.4510	0.771	2	119.4510	0.594	2	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	119.5810	1.182	2	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	119.6115	0.603	2	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	119.9245	0.510	2	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	119.6118	0.617	4	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	119.9180	0.000	1	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	119.4925	0.769	2	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	119.1600	0.000	1	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	119.6500	0.206	3	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	119.5440	0.105	2	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.1420	0.000	1	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	119.3385	0.518	4	119.5949	0.251	24	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(H)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	120.1254	0.133	7	120.1254	0.018	7	119.7814	0.495	35	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	115.6960	0.000	1	115.6960	0.000	1	119.7090	12.370	3	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.2560	0.000	1	122.2560	0.000	1	119.7090	12.370	3	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	121.1750	0.000	1	121.1750	0.000	1	119.7090	12.370	3	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,5|C<3>}	122.6850	0.000	1	122.6850	0.000	1	122.6850	0.000	1	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	115.9840	0.000	1	115.9840	0.000	1	119.8495	29.884	2	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	123.7150	0.000	1	123.7150	0.000	1	119.8495	29.884	2	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|Pd<4>,2|C<3>,2|H<1>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	125.9530	0.000	1	125.9530	0.000	1	125.9530	0.000	1	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	122.9165	0.029	2	122.9165	0.001	2	122.9165	0.001	2	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6])(H)3	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	119.8912	3.680	59	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6]-3:N[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	C(N[5a]C[5a,6]C[5a])(C[6]C[5a,6]N[6])(H)2	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C){2|C<3>,3|H<1>}	123.6980	0.000	1	123.6980	0.000	1	123.6980	0.000	1	123.6980	0.000	1	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:F-1:F-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	C(C[6]C[5a,6]2)(CCFF)(F)2	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(CCFF)(F)2	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	119.2350	0.160	4	119.2350	0.026	4	119.2107	0.034	6	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:F-1:F-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	C(C[6]C[5a,6]2)(CF3)(F)2	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(CF3)(F)2	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	119.1620	0.297	2	119.1620	0.088	2	119.2107	0.034	6	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	119.8055	1.316	2	119.6795	0.637	4	119.7288	0.346	10	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	119.5535	0.339	2	119.6795	0.637	4	119.7288	0.346	10	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	119.5420	0.236	2	119.7617	0.237	6	119.7288	0.346	10	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(CCHH)(H)2	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	119.8715	0.573	4	119.7617	0.237	6	119.7288	0.346	10	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	116.0780	0.000	1	116.0780	0.000	1	116.0780	0.000	1	119.3312	0.971	17	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(CC[6a]CH)(CH3)(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	119.8655	2.956	2	119.8655	8.740	2	119.8655	8.740	2	119.8655	8.740	2	119.9038	3.741	89	119.9038	3.741	89
762	490	727	0:SP2_SP2_SP3	C[6]	C	C[5a,6]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CC3)	C(C[6]C[5a,6]2)(CH3)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC3){1|B<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]2)(CH3)3	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	121.0405	1.285	2	121.0405	1.651	2	121.0405	1.651	2	121.0405	1.651	2	119.9038	3.741	89	119.9038	3.741	89
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[3x6]	3:4:4:	3:4:4:1:	4:3:3:	C[3x6]-3:C[3x6]-4:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[4x6]-4:N[5,6]-3:C[6,6]-3:	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH)	C(C[6,6]C[3x6]2)(CH3)2(H)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C)	C[6,6](C[3x6]C[4x6]N[5,6])(C[3x6]C[6,6]2H)(CCCH){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2)(CH3)2(H)	C[3x6](C[4x6]C[6,6]P[3x6]C)(N[5,6]C[5,6]C[5])(C[6,6]C[3x6]C){2|C<3>,2|H<1>,5|C<4>}	126.0630	0.315	2	126.0630	0.099	2	126.0630	0.099	2	126.0630	0.099	2	126.0630	0.099	2	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	125.7240	0.000	1	125.7240	0.000	1	125.8477	0.013	3	125.9374	0.038	5	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]C)(H){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	125.9095	0.054	2	125.9095	0.003	2	125.8477	0.013	3	125.9374	0.038	5	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]C[5,4x6]H)(C[3x6]C[6,6]2H)(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]C)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	126.0720	0.253	2	126.0720	0.064	2	126.0720	0.064	2	125.9374	0.038	5	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	3:4:4:	3:4:2:1:	3:3:1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:C-4:O-2:H-1:	N[5,3x6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO)	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H)	C[6,6](C[6,6]N[5,3x6]H)(C[3x6]C[6,6]2H)(CCHO){3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(CH3)(OH)(H)	C[6,6](N[5,3x6]C[5,6,6]2)(C[6,6]C[3x6]C)(H){3|H<1>,4|C<4>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	3:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	P[3x6]-3:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|C<4>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	127.1420	0.000	1	127.1420	0.000	1	127.1420	0.000	1	127.1420	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	C(C[6,6]C[3,6,6]C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	C(C[6,6]C[3,6,6]C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H){1|C<3>,3|C<4>,3|H<1>}	126.1290	0.000	1	126.1290	0.000	1	126.1290	0.000	1	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br){2|C<4>,2|O<2>,3|H<1>}	128.3320	1.257	2	128.3320	1.581	2	128.3320	1.581	2	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3,6,6]C[3x6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	124.6620	0.000	1	124.6620	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	126.2200	0.000	1	126.2200	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	126.7120	0.833	3	126.7120	0.695	3	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	126.0360	0.000	1	126.0360	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	126.4300	0.000	1	126.4300	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]O[6,6]C[6a])(C[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,3|C<3>}	127.0110	0.000	1	127.0110	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	125.8730	0.000	1	125.8825	0.063	4	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	126.2050	0.000	1	125.8825	0.063	4	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|O<1>,2|H<1>,3|C<4>}	125.8600	0.000	1	125.8825	0.063	4	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,4|H<1>}	125.5920	0.000	1	125.8825	0.063	4	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	124.9005	1.066	2	125.4228	0.877	4	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	125.9450	0.636	2	125.4228	0.877	4	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,5|H<1>}	127.0430	0.000	1	127.0430	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,3|H<1>}	127.7220	0.000	1	127.7220	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]N[5a,6,6]C[3,6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	127.4560	0.000	1	127.4560	0.000	1	126.2072	0.862	19	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	126.0280	0.000	1	126.0280	0.000	1	126.0280	0.000	1	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	124.0345	0.760	2	124.0345	0.578	2	124.1025	1.130	11	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	124.6240	0.000	1	125.5420	1.685	2	124.1025	1.130	11	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){3|H<1>,4|C<4>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	126.4600	0.000	1	125.5420	1.685	2	124.1025	1.130	11	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|N<3>,3|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HN)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	124.5050	0.000	1	124.5050	0.000	1	124.1025	1.130	11	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HO)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	123.4943	0.380	3	123.4943	0.144	3	124.1025	1.130	11	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3)	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2O)(C[6,6]C[6,6]H)(CH3){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)3	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	123.6623	1.171	3	123.6623	1.371	3	124.1025	1.130	11	125.6437	2.285	34	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CH3){2|C<2>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(OSi){1|C<3>,2|C<2>,2|C<4>,2|H<1>}	127.6410	0.000	1	127.6410	0.000	1	127.6410	0.000	1	126.2825	3.691	2	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3)	C(C[6,6]C[5,3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,3x6]C[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC){1|C<3>,3|C<4>,3|O<2>}	124.9240	0.000	1	124.9240	0.000	1	124.9240	0.000	1	126.2825	3.691	2	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:3:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a])(CH3){2|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	126.8410	0.000	1	126.8410	0.000	1	126.8410	0.000	1	126.8410	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3){1|N<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	125.8570	0.000	1	125.8570	0.000	1	125.6825	0.061	2	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(CH3){1|N<3>,3|C<4>,3|H<1>}	125.5080	0.000	1	125.5080	0.000	1	125.6825	0.061	2	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(CH3){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(PC[6a]2O){1|H<1>,4|C<3>}	128.9690	0.000	1	128.9690	0.000	1	128.9690	0.000	1	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-3:P-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(PC[6a]2S)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]P)(CH3){1|Pd<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(PC[6a]2S){1|H<1>,4|C<3>}	129.0690	0.000	1	129.0690	0.000	1	129.0690	0.000	1	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<2>,1|C<4>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	127.7750	0.611	4	127.7115	0.338	6	127.7128	0.211	10	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pd<5>,1|C<4>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	127.5845	0.723	2	127.7115	0.338	6	127.7128	0.211	10	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:1:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:H-1:H-1:H-1:	P[3x6]-4:C[6,6]-3:Si-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3)	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pt)(C[6,6]C[3x6]C)(SiC3)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]P[3x6]Si)(CH3){1|Pt<2>,1|C<4>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(H)3	C[6,6](P[3x6]C[6,6,6a]C[6,6]Pt)(C[6,6]C[3x6]C)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	127.7147	0.261	4	127.7147	0.068	4	127.7128	0.211	10	127.6094	1.036	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:2:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:O-2:H-1:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO)	C(C[6,6]C[3x6]C[6,6])(OC)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	125.3190	0.000	1	125.3190	0.000	1	125.3190	0.000	1	124.6090	1.008	2	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:2:1:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:Se-2:H-1:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH)	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CSeHH){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(SeC)(H)2	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	123.8990	0.000	1	123.8990	0.000	1	123.8990	0.000	1	124.6090	1.008	2	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:3:1:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-3:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(CHN)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(OSi){2|C<3>,2|C<4>,3|H<1>}	124.7470	0.000	1	124.7470	0.000	1	124.7470	0.000	1	124.7470	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:3:2:1:	4:3:2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-3:O-2:H-1:	C[3x6]-4:C[6,6]-3:O-2:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO)	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(CCHO){1|O<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(COO)(OC)(H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:3:3:2:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)2(OH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CC[6a]2O){1|H<1>,4|C<3>}	130.1273	1.079	4	130.1273	1.165	4	130.1273	1.165	4	130.1273	1.165	4	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:3:4:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[5]-3:C-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH)	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CC[5]CH){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(C[5]C[5]2)(CN[5]2H)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	121.0650	0.000	1	121.0650	0.000	1	121.0650	0.000	1	121.0650	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(CCHH)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	123.5950	0.000	1	123.5950	0.000	1	127.1000	5.604	4	126.5483	4.419	6	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){1|C<3>,1|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,5|H<1>}	127.8930	0.000	1	128.2683	0.216	3	127.1000	5.604	4	126.5483	4.419	6	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<4>,5|H<1>}	128.4560	0.470	2	128.2683	0.216	3	127.1000	5.604	4	126.5483	4.419	6	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[4,4x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[4,4x6]-4:C[6,6]-3:H-1:	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH)	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]C)(H)	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]H)(CCHH){1|C<2>,2|H<1>,3|C<4>}	C(C[6,6]C[4,4x6]C[6,6])(CC[6a]HH)(H)2	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]C)(H){2|H<1>,4|C<4>}	126.3480	0.000	1	126.3480	0.000	1	126.3480	0.000	1	126.5483	4.419	6	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:1:	C[4x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH)	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(CCHH){2|C<2>,3|H<1>,5|C<4>}	C(C[6,6]C[4x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]C)(H){1|C<3>,2|C<2>,4|C<4>}	124.5420	0.000	1	124.5420	0.000	1	124.5420	0.000	1	126.5483	4.419	6	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	123.2895	0.734	4	122.7770	0.562	8	124.5977	6.474	16	124.5977	6.474	16	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	122.2645	0.271	4	122.7770	0.562	8	124.5977	6.474	16	124.5977	6.474	16	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	122.7645	0.609	2	122.7645	0.371	2	124.5977	6.474	16	124.5977	6.474	16	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,2|C<2>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(CCHH){1|C<3>,1|H<1>,2|C<2>,3|C<4>}	126.6560	0.045	2	126.6560	0.002	2	124.5977	6.474	16	124.5977	6.474	16	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(CC3)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	127.8630	0.467	3	127.8630	0.218	3	124.5977	6.474	16	124.5977	6.474	16	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:1:1:	4:3:4:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(CC[6,6]HH)(H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(CCHH){1|H<1>,4|C<3>}	128.9170	0.000	1	128.9170	0.000	1	124.5977	6.474	16	124.5977	6.474	16	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:2:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:N-2:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	122.2820	0.000	1	122.2820	0.000	1	122.2820	0.000	1	122.2820	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:N-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC[6a]Ni)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	122.7855	3.236	2	122.7855	10.474	2	122.2002	4.065	4	122.1964	3.049	5	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:N-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHN){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(NC[6a]H)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	121.6150	0.591	2	121.6150	0.349	2	122.2002	4.065	4	122.1964	3.049	5	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:3:1:	4:3:1:	C[4,6,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:O-3:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO)	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCHO){3|C<4>,4|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CN[5]2H)(OZn2)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	122.1810	0.000	1	122.1810	0.000	1	122.1810	0.000	1	122.1964	3.049	5	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	125.9370	0.000	1	125.9370	0.000	1	125.9370	0.000	1	125.9876	3.578	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	125.9622	1.696	4	125.9622	2.875	4	125.9915	3.876	13	125.9876	3.578	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	125.6853	2.721	3	126.0046	4.736	9	125.9915	3.876	13	125.9876	3.578	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,4|C<4>,5|H<1>}	127.3370	0.754	2	126.0046	4.736	9	125.9915	3.876	13	125.9876	3.578	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){5|C<4>,5|H<1>}	125.9700	2.835	3	126.0046	4.736	9	125.9915	3.876	13	125.9876	3.578	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH)	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(CCCH){3|H<1>,4|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)2(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){5|C<4>,5|H<1>}	124.4010	0.000	1	126.0046	4.736	9	125.9915	3.876	13	125.9876	3.578	14	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:4:	3:4:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:C-4:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	126.7690	0.000	1	126.7690	0.000	1	126.7690	0.000	1	126.7690	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6,6]	C	C[6,6]	4:3:4:	3:4:4:4:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:C-4:C-4:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C(C[6,6]C[5,3x6]C[6,6])(CH3)3	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	125.7867	4.938	111	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[3x6]	3:3:4:	3:3:1:1:	4:4:3:	C[3x6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	125.4280	0.771	2	125.4280	0.594	2	125.4280	0.594	2	125.4280	0.594	2	125.4280	0.594	2	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	3:3:3:	C[6,6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3)	C(C[6]C[6,6]N[6])(H)3	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]N[6])(H)3	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	119.6790	0.660	2	119.6790	0.436	2	119.4413	0.388	3	119.4413	0.388	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	3:3:3:	C[6,6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3)	C(C[6]C[6,6]N[6])(H)3	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3){1|B<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]N[6])(H)3	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	118.9660	0.000	1	118.9660	0.000	1	119.4413	0.388	3	119.4413	0.388	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	124.6860	0.000	1	124.6860	0.000	1	126.9115	9.906	2	126.1407	6.735	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C){3|C<4>,4|H<1>}	129.1370	0.000	1	129.1370	0.000	1	126.9115	9.906	2	126.1407	6.735	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	124.5990	0.000	1	124.5990	0.000	1	124.5990	0.000	1	126.1407	6.735	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	4:4:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){2|H<1>,6|C<4>}	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,4|H<1>}	127.6850	0.000	1	127.6850	0.000	1	127.6665	0.001	2	127.6665	0.001	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:1:1:1:	4:4:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]O[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,3|C<4>,3|H<1>}	127.6480	0.000	1	127.6480	0.000	1	127.6665	0.001	2	127.6665	0.001	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:2:4:	3:3:1:1:	4:3:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	129.5510	0.000	1	129.5510	0.000	1	129.5510	0.000	1	129.5510	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.5315	0.856	2	123.5315	0.733	2	123.5315	0.733	2	120.9570	6.104	14	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.2682	1.264	6	122.2682	1.599	6	122.2682	1.599	6	120.9570	6.104	14	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	117.3940	0.000	1	117.3940	0.000	1	118.0276	0.372	5	120.9570	6.104	14	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	118.1860	0.573	4	118.1860	0.328	4	118.0276	0.372	5	120.9570	6.104	14	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3)	C(C[6]C[6,6]N[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6])	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6]N[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.5880	0.000	1	122.5880	0.000	1	122.5880	0.000	1	120.9570	6.104	14	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	118.6290	0.000	1	118.6290	0.000	1	120.5520	1.827	4	121.6783	4.144	6	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	121.3720	0.600	2	121.1930	0.276	3	120.5520	1.827	4	121.6783	4.144	6	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){2|Cu<3>,2|C<3>,2|H<1>}	120.8350	0.000	1	121.1930	0.276	3	120.5520	1.827	4	121.6783	4.144	6	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	121.6783	4.144	6	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C(C[6]C[6,6]N[6])(H)3	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C(C[6]C[6,6]N[6])(H)3	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	121.6783	4.144	6	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	124.0850	0.000	1	124.0850	0.000	1	123.5030	0.677	2	123.5030	0.677	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.9210	0.000	1	122.9210	0.000	1	123.5030	0.677	2	123.5030	0.677	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:2:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3){3|C<4>,3|O<2>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.7630	0.000	1	123.7630	0.000	1	123.7630	0.000	1	123.7630	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	123.6830	0.000	1	123.9583	0.098	3	124.2370	0.376	4	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	124.0960	0.286	2	123.9583	0.098	3	124.2370	0.376	4	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	125.0730	0.000	1	125.0730	0.000	1	124.2370	0.376	4	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:B[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,6|C<3>}	121.9180	0.000	1	121.9180	0.000	1	121.9180	0.000	1	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	116.5480	0.000	1	116.5480	0.000	1	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	115.6760	0.000	1	115.6760	0.000	1	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	116.9780	0.000	1	116.9780	0.000	1	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	118.3180	0.000	1	118.3180	0.000	1	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	118.7580	0.000	1	118.7580	0.000	1	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	124.3345	0.810	4	124.3345	0.656	4	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	118.0240	0.000	1	118.0240	0.000	1	120.1640	13.875	10	121.3671	12.409	15	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	125.0195	0.616	2	125.0195	0.379	2	125.8553	1.625	12	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	126.7858	0.816	5	126.0225	1.757	10	125.8553	1.625	12	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	125.2592	1.353	5	126.0225	1.757	10	125.8553	1.625	12	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	121.2090	0.000	1	121.2090	0.000	1	123.5317	1.882	6	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	123.2690	0.000	1	123.2690	0.000	1	123.5317	1.882	6	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	124.5310	0.000	1	123.8540	0.508	3	123.5317	1.882	6	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	123.5155	0.573	2	123.8540	0.508	3	123.5317	1.882	6	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	125.1500	0.000	1	125.1500	0.000	1	123.5317	1.882	6	125.0808	2.875	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6])2(H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	123.0265	0.682	4	123.0265	0.465	4	123.0265	0.465	4	123.0265	0.465	4	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:1:1:	4:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	122.7430	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6])(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(COO)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	124.5585	0.231	2	124.5585	0.053	2	124.5585	0.053	2	124.5880	0.648	5	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	123.9600	0.137	2	123.9600	0.019	2	123.9600	0.019	2	124.5880	0.648	5	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:1:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	124.5880	0.648	5	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:3:3:2:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	120.7015	0.076	2	120.7015	0.006	2	120.7015	0.006	2	120.7015	0.006	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	118.4720	0.000	1	118.4720	0.000	1	122.8620	14.480	3	122.8620	14.480	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6]C[6])(CHHS)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	C(C[6]C[6,6]C[6])(CHHS)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	125.0570	0.229	2	125.0570	0.052	2	122.8620	14.480	3	122.8620	14.480	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	117.1870	0.000	1	117.1870	0.000	1	117.1870	0.000	1	118.7805	5.078	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	120.3740	0.000	1	120.3740	0.000	1	120.3740	0.000	1	118.7805	5.078	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6,6]N[6])(CCHH)(CH3)(H)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CH3)2(H)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6])(CH3)2(H)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C){1|Si<4>,1|N<3>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	125.7980	0.000	1	125.7980	0.000	1	125.7980	0.000	1	125.7980	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:4:1:	4:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:4:4:	4:2:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C(C[6]C[6,6]C[6])(CH3)3	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|Nd<21>,1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6,6]C[6])(CH3)3	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	124.2526	0.603	5	124.2526	0.364	5	123.7406	0.648	9	123.7406	0.648	9	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:3:4:	3:4:4:4:	4:2:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-4:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C(C[6]C[6,6]C[6])(CH3)3	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|W<14>,1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6,6]C[6])(CH3)3	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.1005	0.509	4	123.1005	0.259	4	123.7406	0.648	9	123.7406	0.648	9	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	123.6805	0.699	2	123.6805	0.489	2	123.6805	0.489	2	123.0677	1.371	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	3:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	123.0677	1.371	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:2:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){1|H<1>,5|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(C[6]C[6]C){3|H<1>,3|O<2>,4|C<4>}	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:2:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CH)(CH3){2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	C(C[6]C[5,6]C[6,6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	C(C[6]C[5,6]C[6,6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	125.0050	0.000	1	125.0050	0.000	1	125.0050	0.000	1	124.2743	0.720	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	123.3440	0.000	1	123.3440	0.000	1	123.9090	0.638	2	124.2743	0.720	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	124.4740	0.000	1	124.4740	0.000	1	123.9090	0.638	2	124.2743	0.720	3	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	C(C[6]C[5,6]C[6,6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C(C[6]C[5,6]C[6,6])(H)3	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HO)(C[6]C[5,6]C){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	121.1130	0.000	1	121.1130	0.000	1	121.1130	0.000	1	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C(C[6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C(C[6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	120.2150	0.000	1	120.2150	0.000	1	120.6573	0.403	3	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C(C[6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C(C[6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,5,6]C[6]C)(C[6]C[5,6]HO)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	121.3850	0.000	1	121.3850	0.000	1	120.6573	0.403	3	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6,6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3)	C(C[6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(CH3){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	C(C[6]C[6,6]2)(H)3	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[5,6]HH)(C[6]C[6,6]C){2|H<1>,4|C<3>,4|C<4>}	120.3720	0.000	1	120.3720	0.000	1	120.6573	0.403	3	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	124.2240	0.395	2	124.7142	0.506	5	124.7142	0.506	5	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	124.7055	0.626	2	124.7142	0.506	5	124.7142	0.506	5	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]C){2|O<2>,3|C<4>,5|H<1>}	125.7120	0.000	1	124.7142	0.506	5	124.7142	0.506	5	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]HH)(CH3){1|N<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|O<2>,8|H<1>}	126.1940	0.000	1	126.1940	0.000	1	126.1940	0.000	1	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]O[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]O)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CH3){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	126.6140	0.294	2	126.6140	0.087	2	125.0874	1.435	7	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	124.0230	0.000	1	124.0230	0.000	1	125.0874	1.435	7	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<2>,3|C<4>,6|H<1>}	125.1050	0.379	2	125.1050	0.144	2	125.0874	1.435	7	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:1:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	124.0755	0.732	2	124.0755	0.536	2	125.0874	1.435	7	124.2203	4.726	18	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:2:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(CHHO){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HO)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<4>}	120.2670	0.000	2	120.2670	0.000	2	120.2670	0.000	2	120.2670	0.000	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|C<4>,9|H<1>}	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	123.5270	0.675	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:4:1:1:	4:3:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	123.5270	0.675	2	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6,6]	3:4:4:	3:4:1:1:	4:4:3:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CCHH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6a]O[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	123.1010	0.000	1	123.1010	0.000	1	123.1010	0.000	1	123.1010	0.000	1	123.1024	7.395	128	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	2:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-3:H-1:	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6])(C[6]N[6]C)(H)	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6])(C[6]N[6]C)(H){1|C<3>,1|N<2>}	127.2310	0.000	1	127.2310	0.000	1	127.2310	0.000	1	127.2310	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	2:3:2:	C[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]C)(NC)	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3){2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6])(C[6]C[6]C)(NC){1|C<3>,1|O<2>}	120.2000	0.000	1	120.2000	0.000	1	120.2000	0.000	1	118.6910	2.196	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	2:3:2:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-2:C[6]-3:N-2:	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN)	C[6](N[6]N[5a,6])(C[6]S[6]N)(CH3){2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[5a,6])(C[6]N[6]C)(NN){1|N<2>,1|N<3>}	117.9365	0.988	2	117.9365	0.976	2	117.9365	0.976	2	118.6910	2.196	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	C[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>}	123.6420	0.000	1	123.6420	0.000	1	123.6420	0.000	1	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	119.9715	0.851	16	119.9715	0.724	16	120.0687	2.002	20	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	118.2315	2.295	2	119.4417	7.026	3	120.0687	2.002	20	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	121.8620	0.000	1	119.4417	7.026	3	120.0687	2.002	20	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){2|C<3>}	123.5040	0.000	1	123.5040	0.000	1	120.0687	2.002	20	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3){1|O<2>,3|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|B<4>}	121.9013	0.559	4	121.9013	0.313	4	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[3x6]O)(C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[3x6]O)(C[6]O[6]C)(H){1|O<2>,2|C<4>}	124.6470	0.000	1	124.6470	0.000	1	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H){2|C<3>}	127.1760	0.000	1	127.1760	0.000	1	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	128.1630	0.000	1	128.1630	0.000	1	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,1|O<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H){2|C<3>}	128.2858	0.714	4	128.6297	0.593	6	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H){2|C<3>}	129.3175	0.141	2	128.6297	0.593	6	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>,2|N<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	120.0100	0.000	1	120.0100	0.000	1	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	121.2400	0.629	2	121.2400	0.396	2	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,2|O<2>,3|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	120.0243	0.459	3	120.0243	0.211	3	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|Ga<6>}	120.0911	0.859	16	120.0911	0.738	16	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	121.3190	0.020	3	121.3190	0.000	3	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	120.0090	0.533	4	120.0090	0.284	4	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,1|O<3>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<6>,1|C<4>}	118.7930	0.546	2	118.7533	0.217	6	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	118.5505	0.770	2	118.7533	0.217	6	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|N<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<6>,1|C<4>}	118.9165	0.231	2	118.7533	0.217	6	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3){1|Nb<9>,1|C<4>,3|O<2>,4|S<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|Nb<9>}	119.1770	0.689	4	119.1770	0.475	4	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|N<3>,1|S<2>,2|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H){1|Si<6>,2|C<3>}	121.0090	0.000	1	121.0090	0.000	1	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	122.1833	0.263	3	122.0920	0.080	4	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	121.8180	0.000	1	122.0920	0.080	4	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|Si<6>}	122.1845	0.156	2	122.1845	0.024	2	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<5>,1|C<4>}	122.2660	0.224	3	122.2660	0.050	3	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	123.4270	0.386	2	123.6466	0.163	5	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	123.7930	0.413	3	123.6466	0.163	5	121.7222	8.377	67	121.3682	7.336	88	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:3:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]N[6]C)(CCN)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|Re<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Re)(C[6]N[6]C)(CCN){2|C<3>}	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	123.4930	0.000	1	123.4930	0.000	1	121.1088	2.526	5	120.5643	2.236	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	120.5127	1.000	4	120.5127	1.000	4	121.1088	2.526	5	120.5643	2.236	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	119.9630	0.000	1	119.9630	0.000	1	120.7470	1.229	2	120.5643	2.236	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	121.5310	0.000	1	121.5310	0.000	1	120.7470	1.229	2	120.5643	2.236	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Co)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6]Co)(C[6]N[6]C)(CH3){2|C<3>}	121.1110	0.000	1	121.1110	0.000	1	119.5350	2.029	3	120.5643	2.236	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	3:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){2|C<3>}	118.7470	0.577	2	118.7470	0.333	2	119.5350	2.029	3	120.5643	2.236	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO){1|S<2>,3|C<3>}	125.1990	0.000	1	125.1990	0.000	1	126.1183	0.430	27	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	125.7014	0.493	5	125.7014	0.243	5	126.1183	0.430	27	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO){4|C<3>}	126.3250	0.115	2	126.3250	0.013	2	126.1183	0.430	27	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	N[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	126.2546	0.668	19	126.2546	0.446	19	126.1183	0.430	27	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	129.4610	0.709	4	129.4610	0.503	4	129.2766	0.469	18	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	128.9076	0.319	5	128.9076	0.101	5	129.2766	0.469	18	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	130.3210	0.000	1	130.3210	0.000	1	129.2766	0.469	18	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO){4|C<3>}	128.2250	0.000	1	128.2250	0.000	1	129.2766	0.469	18	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	129.5060	0.729	6	129.5060	0.531	6	129.2766	0.469	18	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:1:1:1:	4:3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO){2|C<3>}	129.0140	0.000	1	129.0140	0.000	1	129.2766	0.469	18	127.3816	2.883	45	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:3:1:1:	4:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CC[6a]O)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	125.5250	0.000	1	125.5250	0.000	1	126.3980	1.524	2	126.3980	1.524	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:3:1:1:	4:3:1:	O[6]-2:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH)	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[5a,6]CC)(C[6]O[6]C)(H){2|C<3>}	127.2710	0.000	1	127.2710	0.000	1	126.3980	1.524	2	126.3980	1.524	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:4:1:1:	2:3:1:	S[6]-2:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	S[6]-2:C[6]-3:H-1:	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH)	C(C[6]C[6]S[6])(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]C)(H)	C[6](S[6]C[5a,6])(C[6]S[6]H)(CCHH){2|C<3>}	C(C[6]C[6]S[6])(CCHH)(H)2	C[6](S[6]C[5a,6])(C[6]S[6]C)(H){2|C<3>}	130.3430	0.000	1	130.3430	0.000	1	130.3430	0.000	1	130.3430	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:4:1:1:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:4:1:1:	4:3:4:	N[6]-2:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	123.2527	0.161	6	123.2527	0.026	6	123.2527	0.026	6	123.2527	0.026	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:4:4:4:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|C<4>,1|N<2>,4|N<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Nb<6>}	121.6105	6.537	2	122.9020	26.371	3	122.9020	26.371	3	122.9020	26.371	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	2:3:4:	3:4:4:4:	3:3:1:	N[6]-2:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,5|N<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Nb<7>,1|H<1>}	125.4850	0.000	1	122.9020	26.371	3	122.9020	26.371	3	122.9020	26.371	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|S<2>}	120.9950	0.000	1	120.9950	0.000	1	120.9950	0.000	1	119.0040	38.680	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){2|C<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>}	123.9840	0.000	1	123.9840	0.000	1	123.9840	0.000	1	119.0040	38.680	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	119.0040	38.680	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	126.4371	2.895	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-3:	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(S[6]C[6])(CNO)	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(S[6]C[6])(CNO){1|C<4>,2|H<1>}	126.5450	0.549	3	126.5450	0.301	3	126.5450	0.301	3	126.4371	2.895	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:3:	C[6]-3:S[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-3:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	127.1443	0.559	6	127.1443	0.313	6	127.1443	0.313	6	126.4371	2.895	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<3>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(NH3){1|C<3>,1|C<4>}	123.2330	0.000	1	123.2330	0.000	1	123.2330	0.000	1	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Eu<13>,1|C<3>}	121.9675	0.681	2	121.5992	0.461	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Pt<4>,1|C<3>}	122.4300	0.000	1	121.5992	0.461	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	121.0505	0.238	2	121.5992	0.461	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Cu<4>,1|C<3>}	121.1290	0.000	1	121.5992	0.461	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	122.3790	0.751	2	122.2610	0.348	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Cu<4>,1|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|N<3>}	123.0130	0.000	1	122.2610	0.348	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Eu<13>,1|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	121.9950	0.481	2	122.2610	0.348	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]N[6])(CH3){1|Pt<4>,1|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|N<3>}	121.8050	0.000	1	122.2610	0.348	6	121.9301	0.487	12	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	126.1220	0.450	2	126.2643	0.131	4	126.2643	0.131	4	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C[6](C[6]S[6]C)(S[6]C[6])(CH3){2|C<3>}	C(C[6]C[6]S[6])(H)3	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|P<4>}	126.4065	0.333	2	126.2643	0.131	4	126.2643	0.131	4	123.0265	3.884	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.5970	0.000	1	118.4320	0.054	2	118.6037	0.116	3	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<4>}	118.2670	0.000	1	118.4320	0.054	2	118.6037	0.116	3	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|B<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	118.9470	0.000	1	118.9470	0.000	1	118.6037	0.116	3	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.2770	6.432	2	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	121.8160	0.000	1	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|S<4>}	120.9050	0.000	1	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	121.8580	0.000	1	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	121.2550	0.000	1	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<13>,1|C<3>,1|N<3>}	120.8120	0.000	1	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|Li<6>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<6>,1|Ti<9>,1|C<4>}	121.7780	0.000	1	121.1223	6.344	8	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>}	120.0880	0.000	1	120.9207	0.585	4	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	120.8650	0.406	2	120.9207	0.585	4	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>}	121.8650	0.000	1	120.9207	0.585	4	121.0551	4.207	12	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CF3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]N[6]C)2(H){1|Fe<6>,1|C<3>}	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]C)(H){1|C<3>,2|C<4>}	127.7430	0.000	1	127.7430	0.000	1	127.7430	0.000	1	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	122.7535	0.589	2	122.7535	0.347	2	122.7535	0.347	2	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	122.1560	0.000	1	121.1295	2.107	2	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Mo<7>,1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<4>,1|H<1>}	120.1030	0.000	1	121.1295	2.107	2	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Se<1>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){4|C<3>}	120.9550	0.229	3	120.9550	0.053	3	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>}	122.5720	1.959	2	121.4440	0.986	12	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>}	121.1865	0.224	2	121.4440	0.986	12	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	120.7802	0.303	5	121.4440	0.986	12	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	121.4480	0.000	1	121.4440	0.986	12	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>}	122.7180	0.000	1	121.4440	0.986	12	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>}	121.7440	0.000	1	121.4440	0.986	12	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ir<6>,1|C<3>}	122.1725	0.537	2	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>}	122.4880	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){2|C<3>}	120.8065	0.166	2	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cu<4>,1|C<3>}	121.9360	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	120.4796	0.966	15	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	122.0090	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){2|C<3>}	121.0830	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	121.5422	0.682	5	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cd<6>,1|C<3>}	121.6170	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Mn<6>,1|C<3>}	121.7600	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ni<6>,1|C<3>}	121.4947	0.578	4	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Sn<5>,1|C<3>}	122.0650	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ag<5>,1|C<3>}	122.0950	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cd<6>,1|C<3>}	122.8187	0.276	3	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	121.1849	0.846	33	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Co<6>,1|C<3>}	122.3970	0.457	2	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Cu<6>,1|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cu<6>,1|C<4>}	122.8320	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Eu<12>,1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Eu<12>,1|C<4>}	121.5600	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Gd<15>,1|C<4>,1|N<3>,1|N<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Gd<15>,1|C<4>}	121.1905	0.193	2	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Pd<4>,1|C<3>}	121.8736	0.483	5	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Pr<12>,1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Pr<12>,1|C<4>}	123.9110	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Rh<5>,1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Rh<5>,1|C<4>}	121.4230	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Sm<12>,1|C<4>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Sm<12>,1|C<4>}	123.1690	0.000	1	121.3825	0.947	86	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CH3){1|S<4>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,2|H<1>}	120.0110	0.000	1	120.0110	0.000	1	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	120.5783	0.611	3	120.5783	0.374	3	121.3373	0.931	107	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]N)(I)	C[6](C[6]C[6]I)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]N)(I){1|Pd<4>,1|C<3>}	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	120.6140	0.807	4	120.6140	0.652	4	120.9180	0.872	13	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	121.8320	0.316	5	121.8320	0.100	5	120.9180	0.872	13	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]W)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|W<6>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]W)(H){1|C<3>,1|H<1>}	120.0795	0.499	4	120.0795	0.249	4	120.9180	0.872	13	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,2|C<3>,2|F<1>}	121.7040	0.192	2	121.8830	0.065	4	121.8830	0.065	4	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,4|C<3>}	122.0620	0.170	2	121.8830	0.065	4	121.8830	0.065	4	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cd)(C[6]N[6]C)(H){2|C<3>}	120.9740	0.123	2	120.9740	0.015	2	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.2368	0.640	4	121.1659	0.249	8	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.3830	0.000	1	121.1659	0.249	8	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Co)(C[6]N[6]C)(H){2|C<3>}	120.9990	0.425	3	121.1659	0.249	8	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	122.0650	0.095	2	122.0660	0.082	4	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	122.0670	0.486	2	122.0660	0.082	4	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.5610	0.000	1	121.3935	0.056	2	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H){2|C<3>}	121.2260	0.000	1	121.3935	0.056	2	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]N[6]C)(H){2|C<3>}	121.9440	0.000	1	122.0443	0.012	3	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ir<6>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ir)(C[6]N[6]C)(H){2|C<3>}	122.0945	0.090	2	122.0443	0.012	3	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Mn)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.2290	0.000	1	121.2290	0.000	1	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.3360	0.330	4	121.1332	0.299	6	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.3090	0.000	1	121.1332	0.299	6	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Ni)(C[6]N[6]C)(H){2|C<3>}	120.1460	0.000	1	121.1332	0.299	6	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	121.0550	0.000	1	121.0550	0.000	1	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Re)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Re)(C[6]N[6]C)(H){2|C<3>}	120.8760	0.474	2	120.8760	0.224	2	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sn)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Sn)(C[6]N[6]C)(H){2|C<3>}	121.4575	0.890	2	121.4575	0.793	2	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	120.7830	1.066	4	120.8100	0.857	5	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H){2|C<3>}	120.9180	0.000	1	120.8100	0.857	5	121.2850	0.407	36	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(O[6]Nb[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H)	C[6](C[6]C[5,6]H)(O[6]Nb[6])(CF3){1|N<3>,1|S<2>,4|O<2>}	C(C[6]C[6]O[6])(F)3	C[6](C[5,6]N[5,6]S[5])(C[6]O[6]C)(H){1|Nb<6>,2|C<3>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]Nb[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]Nb[6])(CF3){1|C<3>,1|N<3>,4|O<2>}	C(C[6]C[6]O[6])(F)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|Nb<6>,1|H<1>,2|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	123.6040	0.000	1	123.6040	0.000	1	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	124.7529	0.574	14	124.6709	0.406	15	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	123.5240	0.000	1	124.6709	0.406	15	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	126.0060	0.000	1	126.4296	0.379	8	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	127.0580	0.000	1	126.4296	0.379	8	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	125.9150	0.000	1	126.4296	0.379	8	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){2|C<3>,2|C<4>}	126.6393	0.672	4	126.4296	0.379	8	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	125.9010	0.000	1	126.4296	0.379	8	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)(H){1|C<4>,2|C<3>}	124.8970	0.000	1	124.8970	0.000	1	125.2001	1.136	25	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|C<4>,1|O<2>,2|C<3>}	126.5330	0.000	1	126.5330	0.000	1	126.9693	0.111	4	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]O[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){1|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]O[6a])(C[6]O[6]C)(H){3|C<3>}	127.1147	0.198	3	127.1147	0.039	3	126.9693	0.111	4	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H){1|Fe<10>,1|B<4>,1|C<4>,1|P<3>}	123.7200	0.000	1	123.1675	0.611	2	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	122.6150	0.000	1	123.1675	0.611	2	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5a]O[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5a]O[6])(C[6]O[6]C)(H){1|B<4>,1|C<3>,1|N<3>}	123.9360	0.000	1	123.9360	0.000	1	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H){1|B<4>,2|C<3>}	123.6173	0.448	3	123.6173	0.200	3	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	126.7685	0.026	2	126.7685	0.001	2	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H){1|C<3>,2|C<4>}	125.7230	0.000	1	125.7230	0.000	1	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	126.8628	0.362	4	126.8628	0.131	4	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	127.5452	1.797	4	126.7375	1.025	16	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,2|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(H){2|C<3>}	126.4682	0.447	12	126.7375	1.025	16	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	128.1410	0.000	1	127.0338	0.724	5	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	126.1580	0.000	1	127.0338	0.724	5	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	126.9567	0.665	3	127.0338	0.724	5	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	126.8543	0.636	4	126.8543	0.405	4	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]O[6]C)(H){1|C<4>,2|C<3>}	126.9720	0.000	1	126.9720	0.000	1	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H){2|C<4>}	127.8750	0.000	1	127.8750	0.000	1	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){1|C<4>,3|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	120.6670	0.000	1	120.9330	0.142	2	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){2|Cl<1>,1|C<4>,1|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	121.1990	0.000	1	120.9330	0.142	2	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|Cl<1>,1|C<4>,1|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ge<3>,1|C<3>}	122.4300	0.000	1	122.4300	0.000	1	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]In[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]In[6])(CH3){1|O<2>,3|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|In<4>}	118.5050	0.379	2	118.5050	0.144	2	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){1|Cl<1>,1|C<4>,4|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|Nb<6>}	119.9880	0.000	1	120.6580	0.476	3	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){2|Cl<1>,1|C<4>,3|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)2(H){1|Nb<6>}	120.9930	0.528	2	120.6580	0.476	3	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,1|O<2>,2|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|S<4>}	127.6170	0.659	2	127.6728	0.269	15	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,3|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|S<4>}	127.4868	0.512	9	127.6728	0.269	15	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|H<1>,1|S<4>}	128.1800	0.197	3	127.6728	0.269	15	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|Pd<4>,1|S<4>}	127.9370	0.000	1	127.6728	0.269	15	125.8959	6.326	63	122.7902	6.974	275	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-1:C-1:C-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C(C[6]C[6]2)(C)3	C[6](C[6]C[6]C)2(OSn)	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<4>,2|C<2>}	C(C[6]C[6]2)(C)3	C[6](C[6]C[6]C)2(OSn){1|C<3>}	120.9845	0.449	4	120.9845	0.201	4	120.9845	0.201	4	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OP[6])	C[6](C[6]C[6]O)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OP[6]){1|C<3>,1|H<1>}	122.0270	0.000	1	122.0270	0.000	1	122.0270	0.000	1	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(C[6]O[6]O)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(C[6]O[6]O)(CC){1|C<4>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<3>}	124.7370	0.000	1	125.5157	0.460	3	125.5157	0.460	3	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<4>}	125.9050	0.100	2	125.5157	0.460	3	125.5157	0.460	3	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl){1|C<3>,1|H<1>}	126.3625	0.430	6	126.3625	0.185	6	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	126.0880	0.000	1	126.0880	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	124.5830	0.000	1	124.5830	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	126.3450	0.000	1	126.3450	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn){1|C<3>,1|H<1>}	125.8580	0.000	1	125.8580	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OCo)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OCo){1|C<3>,1|H<1>}	124.9445	0.528	2	124.9445	0.279	2	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	124.7130	0.000	1	124.7130	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	125.9908	0.747	6	125.9908	0.559	6	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5])	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5]){1|C<3>,1|H<1>}	126.9180	0.000	1	126.9180	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	126.2840	0.000	1	126.2840	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OMo)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OMo){1|C<3>,1|H<1>}	125.3085	0.736	4	125.3085	0.542	4	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	126.0210	0.846	2	126.0210	0.715	2	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(ORu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(ORu){1|C<3>,1|H<1>}	124.6700	0.000	1	124.6700	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OZn)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]S)(C[6]O[6]C)(OZn){1|C<3>,1|H<1>}	124.2553	1.320	3	124.2553	1.742	3	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	125.2950	0.000	1	125.2950	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	126.4200	0.000	1	126.4200	0.000	1	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	126.0845	0.606	2	126.0845	0.367	2	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(OZn)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]Se)(C[6]O[6]C)(OZn){1|C<3>,1|H<1>}	124.8225	0.950	2	124.8225	0.902	2	125.6497	0.849	37	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:S[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	120.5790	0.000	1	120.5790	0.000	1	120.4653	0.010	3	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:2:	C[6]-3:S[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn)	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]S[6])(H)3	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn){1|C<3>,1|H<1>}	120.4085	0.023	2	120.4085	0.001	2	120.4653	0.010	3	124.8803	3.839	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2{1|O<2>,3|C<3>}	121.5630	0.223	2	121.5630	0.050	2	121.5630	0.050	2	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Pt<3>,1|H<1>,1|N<3>,2|C<3>}	122.7127	0.739	3	122.7127	0.546	3	122.7127	0.546	3	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CF3)	C(C[6]C[6]N[6])(F)3	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CF3){1|O<1>,4|C<3>}	C(C[6]C[6]N[6])(F)3	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	119.9600	0.000	1	119.9600	0.000	1	119.9600	0.000	1	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]S[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]S[6])(CH3){1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(COO){1|C<4>,1|S<4>}	122.5510	0.000	1	122.5510	0.000	1	122.5510	0.000	1	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	120.8805	0.006	2	120.5327	0.363	3	120.5327	0.363	3	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|S<4>,2|H<1>,3|C<3>}	119.8370	0.000	1	120.5327	0.363	3	120.5327	0.363	3	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	121.0449	0.419	8	121.0398	0.149	10	121.8552	3.776	12	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	121.0195	0.336	2	121.0398	0.149	10	121.8552	3.776	12	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]C)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Zn)(C[6]N[6]C)(CCN){1|C<3>,1|H<1>}	125.9320	0.550	2	125.9320	0.303	2	121.8552	3.776	12	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3){1|Ir<6>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]N[6]C){1|H<1>,4|C<3>}	123.0447	0.438	9	123.0447	0.192	9	123.0447	0.192	9	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3){1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	128.8040	0.000	1	128.8040	0.000	1	128.8040	0.000	1	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO){1|C<3>,1|N<3>}	129.0850	0.000	1	129.0850	0.000	1	129.0850	0.000	1	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){2|O<2>,4|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O){1|B<4>,2|C<3>,2|H<1>}	124.0300	0.000	1	124.0300	0.000	1	125.0024	5.294	7	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)2{1|B<4>,2|C<3>,2|C<4>}	123.4895	0.281	2	123.5980	0.401	4	125.0024	5.294	7	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)2{1|B<4>,2|C<3>,2|H<1>}	123.7065	1.037	2	123.5980	0.401	4	125.0024	5.294	7	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C){1|C<4>,2|H<1>,3|C<3>}	128.3750	0.000	1	128.3750	0.000	1	125.0024	5.294	7	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	128.2200	0.000	1	128.2200	0.000	1	125.0024	5.294	7	122.9538	5.581	41	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	125.5220	0.000	1	125.5220	0.000	1	125.5220	0.000	1	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NH3){1|C<3>}	123.3110	0.000	1	123.3110	0.000	1	123.3110	0.000	1	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(PSiNU)	C[6](C[6]C[6]P)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(PSiNU){1|C<3>,1|H<1>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]N[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>}	121.4865	0.835	2	121.4865	0.697	2	120.7432	0.490	22	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	121.2106	0.371	8	120.6397	0.504	16	120.7432	0.490	22	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	119.9287	0.405	6	120.6397	0.504	16	120.7432	0.490	22	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	120.4895	0.299	2	120.6397	0.504	16	120.7432	0.490	22	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	120.7855	0.502	4	120.7855	0.252	4	120.7432	0.490	22	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:P-4:	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	129.9450	0.000	1	129.9450	0.000	1	129.9450	0.000	1	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	128.7660	0.000	1	128.7660	0.000	1	128.6357	0.464	3	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	127.8990	0.000	1	127.8990	0.000	1	128.6357	0.464	3	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]P[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]P[6])(CH3){1|Cl<1>,1|N<3>,2|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	129.2420	0.000	1	129.2420	0.000	1	128.6357	0.464	3	122.1529	8.791	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	124.5380	0.000	1	124.5380	0.000	1	125.9477	2.022	10	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	126.0910	0.000	1	126.1043	1.999	9	125.9477	2.022	10	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	125.3930	0.298	2	126.1043	1.999	9	125.9477	2.022	10	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	126.3437	1.706	6	126.1043	1.999	9	125.9477	2.022	10	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	127.4995	0.084	2	127.4995	0.007	2	128.0247	0.831	3	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	129.0750	0.000	1	129.0750	0.000	1	128.0247	0.831	3	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]2O)(C[6]O[6]C)(H)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]2O)(C[6]O[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|H<1>,2|C<4>}	125.4470	0.000	1	127.1815	6.017	2	126.0153	7.088	3	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,2|C<4>}	128.9160	0.000	1	127.1815	6.017	2	126.0153	7.088	3	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|Ge<4>,1|P<2>}	123.6830	0.000	1	123.6830	0.000	1	126.0153	7.088	3	126.3306	2.782	17	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6])(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(CF3){1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	123.5450	0.000	1	123.5450	0.000	1	123.5450	0.000	1	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	126.9150	0.211	2	126.9150	0.044	2	126.4250	0.493	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){1|H<1>,3|C<3>}	126.4220	0.000	1	126.4220	0.000	1	126.4250	0.493	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO){3|C<3>}	125.4480	0.000	1	125.4480	0.000	1	126.4250	0.493	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CClHH)	C(C[6]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CClHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(Cl)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	129.7530	0.000	1	129.7530	0.000	1	129.7530	0.000	1	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	130.4027	0.336	3	129.9550	0.877	4	129.7224	0.524	7	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	128.6120	0.000	1	129.9550	0.877	4	129.7224	0.524	7	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	129.3740	0.000	1	129.3740	0.000	1	129.7224	0.524	7	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	129.4315	0.076	2	129.4315	0.006	2	129.7224	0.524	7	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	131.3620	0.000	1	131.3620	0.000	1	129.9365	0.994	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	129.3900	0.000	1	129.3900	0.000	1	129.9365	0.994	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO){1|C<4>,2|C<3>,2|O<2>}	129.1320	0.000	1	129.1320	0.000	1	129.9365	0.994	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	129.8620	0.000	1	129.8620	0.000	1	129.9365	0.994	4	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	129.9470	0.000	1	129.9470	0.000	1	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO){2|C<3>}	129.1720	0.000	1	129.1720	0.000	1	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	130.8605	0.016	2	130.4367	0.539	3	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){2|C<3>}	129.5890	0.000	1	130.4367	0.539	3	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|F<1>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|C<2>,1|C<3>}	130.1850	0.000	1	129.3940	1.251	2	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|H<1>,2|C<4>}	128.6030	0.000	1	129.3940	1.251	2	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO){1|C<3>,2|H<1>}	129.3915	0.325	2	129.3915	0.105	2	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO){2|H<1>,3|C<3>}	128.8390	0.000	1	128.8390	0.000	1	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	130.4747	1.384	3	130.4747	1.916	3	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	130.0290	0.000	1	130.0290	0.000	1	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	129.8320	0.000	1	129.8320	0.000	1	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){4|C<3>}	129.8600	0.000	1	130.3449	0.807	14	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	129.5480	0.000	1	130.3449	0.807	14	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	130.9862	0.470	8	130.3449	0.807	14	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	129.8880	0.000	1	130.3449	0.807	14	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	129.5530	0.221	2	130.3449	0.807	14	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|H<1>,3|C<3>}	128.5360	0.000	1	130.3449	0.807	14	130.1018	0.818	29	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:C-3:	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](S[6]C[6]OO)(C[6]O[6]C)(CNO)	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]O[6])(H)3	C[6](S[6]C[6]OO)(C[6]O[6]C)(CNO){1|C<4>,2|H<1>}	125.7010	0.000	1	125.7010	0.000	1	125.7010	0.000	1	129.4777	2.823	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	129.7460	0.000	1	129.7460	0.000	1	129.7460	0.000	1	130.1085	0.263	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:1:1:1:	4:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]S)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]S)(O[6]C[6])(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]C[6]HH)(C[6]O[6]C)(SC[6a]OO){1|Cl<1>,1|C<3>}	130.4710	0.000	1	130.4710	0.000	1	130.4710	0.000	1	130.1085	0.263	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:1:1:	3:2:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6])(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6])(CHHO){1|C<3>,1|C<4>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|N<3>,1|O<1>}	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:1:1:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	C(C[6]C[6]S[6])(OC)(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	C(C[6]C[6]S[6])(OC)(H)2	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	121.1000	0.000	1	124.7310	26.368	2	121.6183	42.250	3	123.0730	36.631	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	128.3620	0.000	1	124.7310	26.368	2	121.6183	42.250	3	123.0730	36.631	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>}	115.3930	0.000	1	115.3930	0.000	1	121.6183	42.250	3	123.0730	36.631	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO)	C(C[6]C[6]O[6])(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	127.4370	0.000	1	127.4370	0.000	1	127.4370	0.000	1	123.0730	36.631	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:2:1:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-2:C-2:O-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	C(C[6]C[6]2)(CN[5])2(O)	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	C(C[6]C[6]2)(CN[5])2(O)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<2>,1|F<1>}	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	120.9610	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:2:4:4:	3:3:1:	C[6]-3:S[6]-2:C-4:	C[6]-3:O-2:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(S[6]C[6])(CCCO)	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]H)(S[6]C[6])(CCCO){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]S[6])(OC[6a])(CH3)2	C[6](C[6]C[6]O)(C[6]S[6]C)(H){1|H<1>,2|C<4>}	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.0803	2.119	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	121.0803	2.119	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	121.0803	2.119	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CHHN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](N[6]C[6]Cd)(C[6]N[6]C)(CHHN)	C[6](C[6]N[6]C)(N[6]C[6])(CHHN){1|Cd<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](N[6]C[6]Cd)(C[6]N[6]C)(CHHN){1|C<3>,1|C<4>}	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH){2|H<1>,3|C<3>}	124.7030	0.000	1	124.7030	0.000	1	127.8520	19.832	2	127.8520	19.832	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:1:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(COO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	131.0010	0.000	1	131.0010	0.000	1	127.8520	19.832	2	127.8520	19.832	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:3:1:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|O<1>}	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	120.3625	3.239	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	120.3625	3.239	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:3:4:1:	4:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	129.0500	0.000	1	129.0500	0.000	1	129.0500	0.000	1	129.0500	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHHP)	C(C[6]C[6]2)(PCuCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHP){1|C<3>}	C(C[6]C[6]2)(PCuCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|H<1>}	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	121.3010	0.017	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:2:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	121.3620	0.107	2	121.3620	0.012	2	121.3620	0.012	2	121.3010	0.017	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>}	114.7480	0.000	1	114.7480	0.000	1	118.1763	9.266	3	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	119.2190	0.000	1	119.2190	0.000	1	118.1763	9.266	3	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	120.5620	0.000	1	120.5620	0.000	1	118.1763	9.266	3	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	121.3618	0.268	4	121.3618	0.072	4	121.3618	0.072	4	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	128.7090	0.000	1	128.7090	0.000	1	128.7090	0.000	1	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I){1|C<4>,1|H<1>,2|C<3>}	129.1322	1.412	4	129.1322	1.993	4	129.3984	0.984	8	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I){1|C<4>,1|H<1>,2|C<3>}	129.4775	0.433	2	129.4775	0.188	2	129.3984	0.984	8	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I){1|C<4>,1|H<1>,2|C<3>}	129.8515	0.110	2	129.8515	0.012	2	129.3984	0.984	8	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C[6](C[6]O[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	C[6](C[6]O[6]C)(C[6]O[6]O)(H){1|C<4>}	125.7250	0.000	1	125.7250	0.000	1	126.6250	0.637	3	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C[6](C[6]O[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	C[6](C[6]O[6]C)(C[6]O[6]O)(H){1|C<4>}	127.0750	0.243	2	127.0750	0.059	2	126.6250	0.637	3	125.2572	21.455	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(CC[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	127.2025	0.383	2	127.2025	0.146	2	127.2025	0.146	2	126.2917	0.530	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl){1|C<3>,1|H<1>}	126.3630	0.709	3	126.3630	0.503	3	126.1096	0.411	10	126.2917	0.530	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	126.1830	0.631	3	126.1830	0.398	3	126.1096	0.411	10	126.2917	0.530	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn){1|C<3>,1|H<1>}	126.4270	0.071	2	126.4270	0.005	2	126.1096	0.411	10	126.2917	0.530	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	125.3020	0.419	2	125.3020	0.175	2	126.1096	0.411	10	126.2917	0.530	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	123.3845	0.299	2	123.3845	0.089	2	123.3845	0.089	2	126.7429	7.071	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3)	C[6](C[6]C[6]B)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3){1|C<3>,1|H<1>}	129.7830	0.000	1	129.7830	0.000	1	129.7830	0.000	1	126.7429	7.071	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	129.6890	0.000	1	129.4025	0.164	2	127.5750	4.906	4	126.7429	7.071	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	129.1160	0.000	1	129.4025	0.164	2	127.5750	4.906	4	126.7429	7.071	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6])(CH3)(H)2	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	125.7475	1.092	2	125.7475	1.194	2	127.5750	4.906	4	126.7429	7.071	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:3:4:	C[6]-3:S[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	C(C[6]C[6]S[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]S[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.0910	0.000	1	127.0910	0.000	1	127.0910	0.000	1	126.7429	7.071	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	3:4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]O[6])(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,3|H<1>}	125.0130	0.000	1	125.0130	0.000	1	125.0130	0.000	1	125.0130	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:1:1:	4:3:3:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2)	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH){1|H<1>,2|C<4>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	121.9380	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	121.4250	0.000	1	121.4250	0.000	1	121.4250	0.000	1	121.4250	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:3:1:	3:2:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HN)(NC[6a]Ni)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:3:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.4550	0.000	2	119.4550	0.000	2	119.4550	0.000	2	119.9680	0.420	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:3:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:P-4:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(PO3)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	120.8020	0.000	1	120.8020	0.000	1	120.8020	0.000	1	119.9680	0.420	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:3:1:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CCHN)	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCHN){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCHH)(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|O<2>}	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	119.9680	0.420	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6])(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]N[6])(CCCH)	C[6](C[6]N[6]C)(N[6]C[6])(CCCH){1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]N[6])(CCCH){1|Pd<4>,1|C<3>}	124.2053	2.275	4	124.2053	5.174	4	123.9223	5.717	8	123.9223	5.717	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:2:4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]N[6])(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]C[6])(CCCH)	C[6](C[6]N[6]C)(N[6]N[6])(CCCH){1|Pd<4>,1|C<3>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(N[6]C[6])(CCCH){1|C<3>,1|N<3>}	123.6393	2.820	4	123.6393	7.953	4	123.9223	5.717	8	123.9223	5.717	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(PO3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	122.4440	9.901	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH){4|C<3>}	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|Si<4>,1|H<1>,2|C<3>}	124.6690	0.000	1	124.6690	0.000	1	124.6690	0.000	1	122.4440	9.901	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NC){1|C<3>,1|H<1>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	122.6167	3.915	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:2:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	N[5,6]-3:C[6]-3:O-2:	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(OC)	C[6](C[6]N[5,6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	123.7335	0.588	2	123.7335	0.345	2	123.7335	0.345	2	122.6167	3.915	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	B[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2{1|C<4>,4|C<3>}	120.1820	0.395	2	120.1820	0.156	2	120.1820	0.156	2	121.4355	1.326	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NZnC)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NZnC){1|C<3>,1|H<1>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	121.4355	1.326	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	122.8200	0.000	1	122.8200	0.000	1	122.8200	0.000	1	121.4355	1.326	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2{1|Br<1>,1|N<3>,3|C<3>}	121.5970	0.850	2	121.5970	0.722	2	121.5970	0.722	2	121.4355	1.326	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	127.7470	0.000	1	127.7470	0.000	1	127.7470	0.000	1	128.0030	0.131	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	3:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:P-4:	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH){2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	128.2590	0.000	1	128.2590	0.000	1	128.2590	0.000	1	128.0030	0.131	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H)	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CH3)2(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	127.4160	0.000	1	127.4160	0.000	1	127.4160	0.000	1	127.6740	0.133	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,1|C<4>}	127.9320	0.000	1	127.9320	0.000	1	127.9320	0.000	1	127.6740	0.133	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:1:	4:3:4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	127.3130	0.000	1	127.3130	0.000	1	127.3130	0.000	1	127.3130	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Fe<5>,1|C<3>}	122.0330	0.000	1	122.0330	0.000	1	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<1>}	121.0255	1.225	2	121.6991	1.373	19	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	121.6055	1.195	13	121.6991	1.373	19	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	122.3397	1.067	4	121.6991	1.373	19	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	121.9838	0.489	6	121.5944	0.719	9	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	121.3575	0.257	2	121.5944	0.719	9	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|N<3>}	119.7320	0.000	1	121.5944	0.719	9	121.6781	1.095	29	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)(N[6]N[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(N[6]N[6])(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	130.1585	0.650	2	130.1585	0.422	2	130.1585	0.422	2	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	127.7305	0.590	2	127.9561	0.217	14	128.0928	0.302	23	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	127.9937	0.463	12	127.9561	0.217	14	128.0928	0.302	23	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[6]2)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[6]2)(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	127.7465	0.026	2	127.7465	0.001	2	128.0928	0.302	23	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	128.6372	0.472	6	128.4653	0.392	7	128.0928	0.302	23	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC3){3|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	127.4340	0.000	1	128.4653	0.392	7	128.0928	0.302	23	124.5503	12.250	56	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OH){1|C<3>}	121.9640	0.290	2	121.9640	0.084	2	122.2922	5.389	6	121.8190	6.058	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OSm)	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OSm){1|C<3>}	122.4562	2.974	4	122.4562	8.847	4	122.2922	5.389	6	121.8190	6.058	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:2:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]Si[6])(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC)	C[6](C[6]C[6]C)(N[6]Si[6])(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC){1|Si<4>,1|O<2>,3|C<3>}	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	121.8190	6.058	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3){1|N<2>,4|C<3>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){3|H<1>,5|C<3>}	129.9220	0.000	1	129.9220	0.000	1	129.9220	0.000	1	129.3110	0.747	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	3:4:4:4:	3:3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]O[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CC3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6])(CH3)3	C[6](C[6]O[6]C)(C[6]O[6]O)(COO){1|C<4>}	128.7000	0.000	1	128.7000	0.000	1	128.7000	0.000	1	129.3110	0.747	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	4:3:1:1:	3:3:1:	C[6]-3:O[6]-2:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[6](C[6]O[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[6](C[6]O[6]C)(C[6]O[6]O)(H){1|C<4>}	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	4:3:1:1:	3:3:2:	C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	128.2830	0.000	1	128.2830	0.000	1	128.2830	0.000	1	128.2830	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	4:3:2:1:	3:2:4:	C[6]-3:S[6]-2:C-4:	C[5]-4:C[6]-3:O-2:H-1:	C[6]-3:S[6]-2:C-4:	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO)	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[6](C[6]S[6]C)(S[6]C[6])(CHHO)	C[6](C[6]S[6]C)(S[6]C[6])(CC[5]HO){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6]C[6]S[6])(OH)(H)	C[6](C[6]S[6]C)(S[6]C[6])(CHHO){1|C<4>,2|H<1>}	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	125.3030	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	4:3:3:1:	3:3:1:	C[6]-3:C[6]-2:C-4:	C[5]-4:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH)	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5]2O)(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.8980	0.000	1	117.8980	0.000	1	117.8980	0.000	1	117.8980	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	4:3:4:1:	4:3:1:	C[6]-3:O[6]-2:C-4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|H<1>,2|C<4>}	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:2:4:	4:3:4:3:	3:3:1:	C[6]-3:C[6]-2:C-4:	C-4:C[6]-3:C-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	C(CC[6a]N[5]H)(C[6]C[6]2)(CCHH)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	117.9970	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	117.2895	10.816	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](P[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3){1|C<3>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](P[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	117.2895	10.816	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-2:C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	119.7940	0.000	1	119.7940	0.000	1	120.1085	0.198	2	123.3233	4.596	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	120.4230	0.000	1	120.4230	0.000	1	120.1085	0.198	2	123.3233	4.596	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|H<1>,2|C<3>}	124.9750	0.000	1	124.9750	0.000	1	124.8882	0.582	5	123.3233	4.596	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	124.8665	0.879	4	124.8665	0.773	4	124.8882	0.582	5	123.3233	4.596	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](N[6]C[6,6]Co)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6]Co)(C[6]N[6]C)(CH3){2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6])(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|N<3>}	120.9860	0.000	1	120.9860	0.000	1	122.8583	2.638	3	123.3233	4.596	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	2:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	123.7945	0.129	2	123.7945	0.017	2	122.8583	2.638	3	123.3233	4.596	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:S-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(S[6]C[6])(S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(S[6]C[6])(S){1|H<1>,2|C<3>}	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(S[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(S[6]C[6,6a])(H){3|C<3>}	117.9680	0.000	1	117.9680	0.000	1	117.9680	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.7380	0.000	1	120.7380	0.000	1	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.0010	0.000	1	120.9716	1.648	8	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	120.8970	0.000	1	120.9716	1.648	8	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.7880	0.000	1	120.9716	1.648	8	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	121.4617	0.902	4	120.9716	1.648	8	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.2400	0.000	1	120.9716	1.648	8	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Mg<4>,1|C<2>,1|H<1>}	122.3855	1.148	2	122.3855	1.317	2	121.2075	1.630	11	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]O[6])(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]O[6])(H){1|C<4>,1|H<1>}	118.9070	0.000	1	118.9070	0.000	1	122.1913	8.094	3	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Zn<5>,1|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|O<1>}	123.8335	0.087	2	123.8335	0.008	2	122.1913	8.094	3	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	118.7215	0.525	6	118.7215	0.276	6	118.7215	0.276	6	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	114.2775	0.995	2	114.2775	0.990	2	115.0037	2.077	3	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	116.4560	0.000	1	116.4560	0.000	1	115.0037	2.077	3	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:P[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6])(H){1|C<4>,2|C<3>}	119.8610	0.184	2	119.8610	0.034	2	119.8610	0.034	2	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	125.4133	0.562	3	125.4133	0.316	3	125.4133	0.316	3	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(O[6]C[6])(H)	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-2:H-1:	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(S[6]C[6])(H)	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(S[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	120.3970	0.000	1	120.3970	0.000	1	120.3970	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Pt<4>,1|C<3>,1|C<4>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	120.4157	7.639	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:P[6]-2:P-3:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2){1|C<3>,1|H<1>,1|P<3>}	120.6970	0.177	2	120.9023	0.142	3	120.9023	0.142	3	121.7794	1.520	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:P[6]-2:P-3:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2){1|Si<4>,1|C<3>,1|H<1>}	121.3130	0.000	1	120.9023	0.142	3	120.9023	0.142	3	121.7794	1.520	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-3:	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CCO)	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3){1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]N[6])(CCO){1|B<4>,1|C<3>,1|H<1>}	123.0950	0.168	2	123.0950	0.028	2	123.0950	0.028	2	121.7794	1.520	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	122.1465	0.704	2	122.1465	0.495	2	122.1465	0.495	2	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|C<4>}	122.4895	0.090	2	122.4895	0.008	2	124.2770	1.080	22	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	124.7215	0.519	8	124.1543	0.511	16	124.2770	1.080	22	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	123.5262	0.247	6	124.1543	0.511	16	124.2770	1.080	22	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|H<1>}	123.7700	0.494	2	124.1543	0.511	16	124.2770	1.080	22	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:2:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<1>}	125.6615	0.483	4	125.6615	0.233	4	124.2770	1.080	22	124.0009	1.555	25	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-1:	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3)	C(C[6]C[4,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O)	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[4,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	118.2530	0.000	1	118.0580	0.076	2	118.0580	0.076	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	117.8630	0.000	1	118.0580	0.076	2	118.0580	0.076	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O){2|O<2>,3|C<3>}	120.9050	0.055	2	120.9050	0.003	2	120.9050	0.003	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3){1|Fe<10>,1|B<4>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	122.3615	0.315	2	122.3615	0.099	2	122.3786	2.884	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	119.7610	0.000	1	119.7610	0.000	1	122.3786	2.884	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|C<4>}	122.7750	1.520	2	122.3753	1.635	3	122.3786	2.884	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|C<4>}	121.5760	0.000	1	122.3753	1.635	3	122.3786	2.884	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	125.0400	0.000	1	125.0400	0.000	1	122.3786	2.884	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	116.4360	0.000	1	116.4360	0.000	1	119.1704	3.136	5	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|O<2>,2|C<4>}	119.7710	0.000	1	119.7710	0.000	1	119.1704	3.136	5	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	119.1795	0.482	2	119.1795	0.232	2	119.1704	3.136	5	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	121.2860	0.000	1	121.2860	0.000	1	119.1704	3.136	5	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3)	C(C[6]C[5a,6]C[6])(F)3	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3){1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6])(F)3	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	122.1090	0.000	1	122.1090	0.000	1	122.1090	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	123.2770	0.000	1	123.2770	0.000	1	121.1450	2.306	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H){1|C<3>,1|N<2>,1|N<3>}	120.3610	0.000	1	120.3610	0.000	1	121.1450	2.306	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	119.8190	0.000	1	119.8190	0.000	1	121.1450	2.306	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.1230	0.000	1	121.1230	0.000	1	121.1450	2.306	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.2110	0.000	1	119.2110	0.000	1	119.2110	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|N<2>,1|O<1>,3|C<3>}	120.1610	0.000	1	120.1610	0.000	1	120.1610	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	115.4920	0.560	4	115.4920	0.313	4	117.8359	5.649	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|C<4>,1|H<1>}	116.6740	0.000	1	116.6740	0.000	1	117.8359	5.649	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	120.5090	0.007	2	120.6400	0.052	3	117.8359	5.649	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	120.9020	0.000	1	120.6400	0.052	3	117.8359	5.649	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	119.4570	0.000	1	119.4570	0.000	1	117.8359	5.649	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3400	0.000	1	118.3400	0.000	1	117.8359	5.649	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|C<4>,1|O<2>}	117.7375	0.896	2	117.7375	0.803	2	116.7616	5.531	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	113.7032	0.979	5	113.7032	0.958	5	116.7616	5.531	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(O){1|O<2>,2|C<3>}	119.1233	1.319	6	119.1233	1.740	6	116.7616	5.531	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,2|C<4>}	117.6660	0.000	1	117.1525	0.527	2	116.7616	5.531	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	116.6390	0.000	1	117.1525	0.527	2	116.7616	5.531	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	116.3588	0.930	4	116.3588	0.865	4	116.7616	5.531	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	121.4572	0.406	10	121.4572	0.165	10	121.4572	0.165	10	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	121.2965	0.030	2	121.2965	0.001	2	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,1|S<2>,3|C<3>}	121.1783	0.337	4	121.1783	0.114	4	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,3|C<3>}	119.2560	0.000	1	119.2560	0.000	1	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	121.0120	0.113	2	120.7075	0.345	11	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Rh<6>,2|C<3>}	121.4420	0.000	1	120.7075	0.345	11	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	120.4106	0.510	7	120.7075	0.345	11	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	121.4430	0.000	1	120.7075	0.345	11	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	121.1635	0.071	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	121.9135	0.193	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cr<6>,2|C<3>}	120.8805	0.118	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	121.0945	1.091	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	121.8805	0.558	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	118.8260	0.000	1	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	120.1570	0.266	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	121.1540	0.000	1	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Os<5>,2|C<3>}	120.8160	0.000	1	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	120.9407	0.452	3	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	121.1045	0.684	2	121.0003	0.635	20	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]S)(H){2|C<3>}	121.2920	0.000	1	121.2920	0.000	1	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Cu<4>,4|C<3>}	121.3855	0.127	2	121.0284	0.323	8	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,4|C<3>}	120.8670	0.577	4	121.0284	0.323	8	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	120.9940	0.939	2	121.0284	0.323	8	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	119.8870	0.882	4	119.8870	0.777	4	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	116.5267	1.857	3	116.5267	3.447	3	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.7870	0.000	1	117.7870	0.000	1	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	122.4130	0.000	1	122.4130	0.000	1	120.5928	1.813	56	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(Br)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CBrHH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CBrHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.1755	0.763	2	121.1755	0.582	2	121.1755	0.582	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.0730	0.000	1	121.6393	4.215	3	121.0757	12.567	9	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.4225	2.855	2	121.6393	4.215	3	121.0757	12.567	9	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	124.5295	2.058	2	122.5575	16.855	4	121.0757	12.567	9	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CClHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.5855	5.547	2	122.5575	16.855	4	121.0757	12.567	9	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	117.2665	1.669	2	117.2665	2.787	2	121.0757	12.567	9	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	122.6585	5.877	2	122.6585	34.536	2	122.6585	34.536	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(F)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|O<2>,4|C<3>}	116.4150	0.000	1	116.4150	0.000	1	114.4495	7.726	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3){1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(F)3	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<2>,3|C<3>}	112.4840	0.000	1	112.4840	0.000	1	114.4495	7.726	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|O<2>,1|W<8>}	118.2465	0.175	2	118.2465	0.031	2	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	114.6670	0.000	1	114.6670	0.000	1	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Au<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1695	1.809	2	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|As<4>,1|H<1>,1|N<3>}	121.9780	0.000	1	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>}	120.4890	0.000	1	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.9424	0.230	5	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.0622	0.978	9	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<9>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,1|N<3>,1|O<2>}	120.9290	0.000	1	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3600	0.000	1	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.5620	0.000	1	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	119.4770	0.082	2	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2049	1.236	12	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.3985	0.401	2	121.0848	1.478	37	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.8693	0.535	3	119.8708	0.178	6	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<3>}	120.2380	0.000	1	119.8708	0.178	6	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.6895	0.343	2	119.8708	0.178	6	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]B)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|B<4>,1|C<2>,1|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]B)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	119.1110	0.000	1	119.1110	0.000	1	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.6770	0.000	1	120.6770	0.000	1	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.8270	0.000	1	120.0951	1.142	7	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.2970	0.000	1	120.0951	1.142	7	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.1084	1.192	5	120.0951	1.142	7	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.0940	1.197	12	120.1178	2.138	21	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.8458	0.432	4	120.1178	2.138	21	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.9330	0.000	1	120.1178	2.138	21	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.7605	4.532	2	120.1178	2.138	21	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.2545	0.105	2	120.1178	2.138	21	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CF3){1|B<4>,1|C<2>,1|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	120.0080	0.000	1	120.0106	0.739	5	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CF3){3|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(H){2|Li<5>,1|C<3>,1|H<1>}	120.0113	0.993	4	120.0106	0.739	5	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.2710	0.000	1	119.4619	0.920	9	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	120.5420	0.000	1	119.4619	0.920	9	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	119.1120	1.097	2	119.4619	0.920	9	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	119.2537	1.172	4	119.4619	0.920	9	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	120.1050	0.000	1	119.4619	0.920	9	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	120.2060	0.000	1	120.2060	0.000	1	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	120.2797	0.853	9	120.1325	0.864	10	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|Ir<6>,1|C<3>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	118.8080	0.000	1	120.1325	0.864	10	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]N[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|Ir<6>,1|C<3>,1|N<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]N[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.1210	0.000	1	121.1210	0.000	1	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.2180	0.000	1	121.3010	0.014	2	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	121.3840	0.000	1	121.3010	0.014	2	120.3261	1.923	104	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	115.5760	0.454	2	115.5760	0.206	2	115.5760	0.206	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|As<4>,1|C<3>,1|H<1>}	118.1470	0.000	1	118.1470	0.000	1	120.9207	1.887	6	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.4754	0.226	5	121.4754	0.051	5	120.9207	1.887	6	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H){2|Br<1>,1|H<1>,3|C<3>}	119.4540	0.000	1	119.4540	0.000	1	119.5025	0.005	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.5510	0.000	1	119.5510	0.000	1	119.5025	0.005	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Au)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Au<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Au)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3235	2.514	2	120.3235	6.319	2	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.2768	0.947	9	119.3410	0.838	10	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<9>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.9190	0.000	1	119.3410	0.838	10	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.5230	0.000	1	120.4682	0.665	4	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.5100	0.000	1	120.4682	0.665	4	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	120.4200	0.105	2	120.4682	0.665	4	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.6452	0.910	12	119.6452	0.829	12	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.5965	0.523	2	119.5965	0.273	2	119.6955	1.025	30	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	116.6930	0.000	1	116.6930	0.000	1	116.6930	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	120.7788	0.542	4	120.7788	0.294	4	121.2770	0.850	6	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	121.8330	0.000	1	121.8330	0.000	1	121.2770	0.850	6	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	122.7140	0.000	1	122.7140	0.000	1	121.2770	0.850	6	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|C<3>,1|N<3>,3|C<4>}	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	119.1790	0.000	1	119.1790	0.000	1	120.7423	1.859	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	121.5240	0.228	2	121.5240	0.052	2	120.7423	1.859	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	123.4570	0.000	1	123.4570	0.000	1	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.8310	0.649	2	121.8310	0.421	2	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	120.8180	0.000	1	120.4597	1.501	6	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.3880	1.356	5	120.4597	1.501	6	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	122.1100	0.000	1	122.1100	0.000	1	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3){1|Ru<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.4980	0.642	2	122.4980	0.412	2	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|Os<8>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	121.5495	0.364	2	121.5495	0.133	2	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8885	0.015	2	120.8885	0.000	2	121.3662	1.456	16	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	117.3560	0.000	1	117.3560	0.000	1	116.8837	0.175	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	116.6475	0.124	2	116.6475	0.015	2	116.8837	0.175	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.5570	0.000	1	125.5570	0.000	1	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	121.6855	0.603	2	121.6855	0.364	2	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	124.2385	0.415	2	124.2385	0.172	2	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.2417	0.953	4	123.4085	0.663	6	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.7420	0.506	2	123.4085	0.663	6	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.9230	0.000	1	123.6893	0.841	7	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Cu<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	124.3627	0.454	3	123.6893	0.841	7	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.2730	0.000	1	123.6893	0.841	7	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Zn<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	123.7705	0.815	2	123.6893	0.841	7	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.6950	0.000	1	122.6950	0.000	1	123.4935	1.208	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3){1|O<1>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	115.7152	0.158	4	115.7152	0.025	4	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	116.5040	0.000	1	116.5040	0.000	1	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|I<1>,3|C<3>}	117.0260	0.160	2	117.3616	0.236	12	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	117.3713	0.490	7	117.3616	0.236	12	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.2820	0.000	1	117.3616	0.236	12	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	117.2030	0.048	2	117.3616	0.236	12	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	117.7460	0.000	1	118.9347	4.700	3	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	117.6210	0.000	1	118.9347	4.700	3	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|Os<10>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<5>,1|H<1>,1|O<2>,2|C<3>}	121.4370	0.000	1	118.9347	4.700	3	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|S<2>,3|C<3>}	115.8125	0.634	14	115.8125	0.402	14	116.6436	1.587	34	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,2|C<4>}	124.5730	0.000	1	124.5730	0.000	1	122.5591	2.878	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){2|C<3>,2|C<4>}	123.3040	0.000	1	123.3040	0.000	1	122.5591	2.878	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	121.8180	0.000	1	121.8180	0.000	1	122.5591	2.878	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	125.2100	0.000	1	125.2100	0.000	1	122.5591	2.878	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	121.2610	1.069	2	121.2610	1.143	2	122.5591	2.878	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	121.5230	1.138	2	121.5230	1.296	2	122.5591	2.878	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	121.9705	0.050	2	121.9705	0.003	2	123.1497	4.173	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	125.5080	0.000	1	125.5080	0.000	1	123.1497	4.173	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|B<4>,2|H<1>}	118.4385	1.027	4	118.4385	1.054	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3){4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	116.6790	0.000	1	116.6790	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3){1|P<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|P<3>}	118.3860	0.000	1	118.3860	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	123.7380	0.000	1	123.7380	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	123.5680	0.109	2	123.5680	0.012	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3){4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	116.9510	0.000	1	116.9510	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	116.9250	0.000	1	116.9250	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	123.4450	0.000	1	123.4450	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,3|C<3>}	120.0655	0.439	2	120.0655	0.193	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|N<3>}	117.8900	0.000	1	117.8900	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	117.8900	0.000	1	117.5700	0.205	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	117.2500	0.000	1	117.5700	0.205	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.8380	0.000	1	119.2440	0.330	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|Ru<7>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Ru<7>,1|H<1>,2|C<4>}	119.6500	0.000	1	119.2440	0.330	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	121.7130	0.228	3	121.2537	0.878	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	119.8760	0.000	1	121.2537	0.878	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|N<3>,2|C<4>}	119.2175	0.080	2	119.2175	0.006	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	124.0460	0.000	1	124.0460	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	124.3770	0.000	1	124.3770	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	120.8500	0.000	1	120.8500	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.0335	0.054	2	120.0335	0.003	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8080	0.525	2	119.8080	0.275	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<4>}	117.8770	0.000	1	117.8770	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|C<4>,1|H<1>}	118.3090	0.000	1	118.3090	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	118.3620	0.000	1	118.3620	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	121.3470	0.000	1	121.2633	1.256	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.4571	1.133	7	121.2633	1.256	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	119.8230	0.000	1	121.2633	1.256	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	122.9220	0.000	1	122.9220	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	124.0510	0.000	1	123.9045	0.043	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	123.7580	0.000	1	123.9045	0.043	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|O<1>,3|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	124.5740	0.000	1	124.5740	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	120.7950	0.119	2	120.7950	0.014	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H){1|O<1>,4|C<3>}	122.2730	0.116	2	122.2730	0.013	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	123.3978	0.332	9	123.3105	0.174	10	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	122.5250	0.000	1	123.3105	0.174	10	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	121.1050	0.000	1	121.1050	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|O<2>,3|C<4>}	114.3990	0.000	1	114.3990	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	119.1800	0.000	1	119.1800	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	119.6800	0.000	1	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.3843	0.458	23	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	121.2200	0.068	2	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|C<4>}	120.6093	1.366	4	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	120.4980	0.000	1	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	120.9960	0.000	1	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|C<4>}	122.1450	0.000	1	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|C<4>}	120.7780	0.000	1	120.5239	0.464	34	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	121.7780	0.000	1	121.7780	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	115.7450	0.000	1	115.7450	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	119.1510	0.105	2	119.1510	0.011	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<2>,2|C<3>}	118.7480	0.092	2	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<3>,1|W<6>,2|C<3>}	117.9973	0.265	3	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Mn<5>,1|C<4>,1|P<3>,2|C<3>}	118.1350	0.008	2	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|C<4>,1|P<3>,2|C<3>}	118.9420	0.000	1	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|P<3>,3|C<3>}	118.3190	0.000	1	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Tm<12>,1|C<4>,1|P<3>,2|C<3>}	118.1760	1.686	2	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Yb<12>,1|C<4>,1|P<3>,2|C<3>}	117.6595	0.578	2	118.2069	0.434	13	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.6760	0.000	1	119.6760	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	120.8745	0.053	2	120.8745	0.003	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	122.4200	0.000	1	121.2880	0.674	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.2480	0.000	1	121.2880	0.674	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	120.8540	0.993	2	121.2880	0.674	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0640	0.000	1	121.2880	0.674	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5237	0.092	3	119.5237	0.008	3	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>}	120.7795	1.459	2	120.3140	0.991	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6690	0.665	2	120.3140	0.991	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6730	0.000	1	120.3140	0.991	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	123.7600	0.841	2	123.7600	0.708	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	120.7200	0.000	1	122.4205	5.783	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	124.1210	0.000	1	122.4205	5.783	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	123.0010	0.181	4	123.0380	0.031	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	123.1860	0.000	1	123.0380	0.031	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	125.4700	0.000	1	124.4350	0.515	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	124.0900	0.242	3	124.4350	0.515	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|P<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	120.0195	2.146	2	120.0195	4.606	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	122.8171	0.351	20	122.8171	0.123	20	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>}	119.2250	0.000	1	119.2250	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.4470	0.000	1	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0625	0.343	2	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.5312	0.671	13	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	121.2430	0.256	2	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.0585	0.166	2	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.6763	0.556	4	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3900	1.370	2	121.2140	0.710	26	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.8160	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.6470	0.361	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.3090	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	124.4400	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	122.1350	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.9830	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.3228	2.746	10	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|D<1>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2280	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2740	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.3549	0.488	8	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.6650	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.7330	0.861	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	122.8240	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.9160	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.9624	0.523	7	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	122.2375	0.097	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.6496	0.689	40	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.3050	0.462	29	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ca<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>}	122.1693	0.489	6	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.6797	0.514	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.7350	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.1545	0.204	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.9533	0.646	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.6436	0.853	15	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	122.1040	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	124.4797	2.390	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.2267	0.490	7	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.5126	0.595	9	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<13>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.8640	0.636	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sn<4>,1|H<1>,1|N<3>}	122.0310	0.431	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.5910	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.7069	0.576	14	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	122.2110	0.644	5	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.0462	0.077	6	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	123.1950	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	126.2080	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.6890	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.7425	0.668	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.5033	0.603	7	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>}	122.7073	0.490	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.3127	0.308	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sn<3>,1|H<1>,1|N<3>}	122.7938	0.834	12	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	123.0050	0.754	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.6690	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.9490	0.084	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.9350	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.4800	0.457	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	124.4240	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.6220	0.841	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.4788	0.767	8	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.4172	1.073	9	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5500	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	122.6725	0.760	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.9530	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.3581	0.667	19	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.7780	0.338	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.3760	0.869	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.8387	0.713	12	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.0526	0.557	10	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Rh<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.5990	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.0877	2.645	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.0462	0.670	11	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.6655	3.168	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2010	0.532	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|U<16>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	128.0970	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.1820	0.397	4	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.7580	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2603	0.277	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.3630	0.522	2	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.7690	0.000	1	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.6337	3.207	3	122.3350	1.193	343	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	121.1310	0.000	1	121.9418	1.052	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.2790	0.000	1	121.9418	1.052	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	122.5602	0.320	4	121.9418	1.052	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.2355	0.062	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.2330	1.048	49	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.0480	0.645	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	121.7550	0.252	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.5235	0.393	8	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.3917	0.276	6	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.1303	0.233	4	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.2170	0.257	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.3955	0.634	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	121.7730	0.000	1	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.0603	0.629	39	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.2410	0.000	1	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.7913	1.412	8	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.6388	0.282	4	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.7535	0.412	4	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.8260	0.557	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.5880	0.438	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	121.6329	0.380	10	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.1493	0.520	9	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.2240	0.000	1	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.8106	0.644	8	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	123.0327	1.405	7	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.0265	0.455	6	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	121.9857	0.659	4	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ti<12>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	121.9963	0.483	4	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	121.7380	0.324	8	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.1655	0.230	2	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|N<4>,2|H<1>}	121.0750	0.000	1	122.2317	0.662	198	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	122.8180	0.176	3	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	123.3117	0.840	21	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	123.0680	1.008	2	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.6725	0.383	2	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.6543	0.165	3	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.3985	0.131	2	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.6970	0.967	2	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.6230	0.512	2	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.4530	0.000	1	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.1330	0.000	1	122.7812	0.947	39	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<1>}	121.3535	1.521	2	123.0089	1.042	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	123.2575	0.894	13	123.0089	1.042	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	123.0288	0.434	4	123.0089	1.042	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<3>}	118.0710	0.000	1	119.2348	4.537	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<4>}	116.1790	0.000	1	119.2348	4.537	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<3>,1|P<4>}	120.6413	0.872	3	119.2348	4.537	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|P<2>,2|P<3>}	117.6435	0.385	2	117.6435	0.149	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3){1|C<4>,1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	118.3450	0.000	1	118.3450	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.9465	0.702	2	121.2094	0.236	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.5793	0.617	3	121.2094	0.236	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2663	0.332	3	121.2094	0.236	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.9577	0.264	3	121.2094	0.236	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	121.7070	2.503	4	121.7070	6.267	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	119.4710	0.000	1	119.4710	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.2570	0.000	1	121.2570	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2975	0.286	2	121.2870	0.169	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<7>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.7555	0.213	2	121.2870	0.169	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<10>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7300	0.000	1	121.2870	0.169	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<14>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0865	0.238	2	121.2870	0.169	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<3>}	121.3630	0.000	1	121.3630	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3100	6.956	6	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	120.3960	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.4320	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.9030	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>}	120.8140	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	121.6330	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<4>}	120.5360	0.720	4	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	123.5940	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.1360	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<4>,1|V<9>}	121.0648	0.457	4	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<10>,1|C<3>,1|H<1>,1|N<3>}	121.6205	1.268	4	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<7>,1|C<3>,1|H<1>,1|O<2>}	121.2850	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<10>,1|C<3>,1|H<1>,1|N<3>}	121.6289	0.936	8	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	121.5360	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>,1|N<3>}	119.7520	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	120.7110	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|N<3>}	121.1517	0.476	3	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	122.1050	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|S<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	120.7870	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,2|H<1>}	120.6082	0.713	4	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|V<8>}	121.0890	0.539	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<10>,1|C<3>,1|C<4>,1|H<1>}	120.6945	1.305	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<16>,1|C<3>,1|H<1>,1|N<3>}	121.3450	0.322	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>}	121.2413	0.337	4	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>,1|N<3>}	120.9650	0.140	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<11>,1|C<3>,1|H<1>,1|N<2>}	120.9780	2.390	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<4>,1|C<3>,1|H<1>}	121.3295	0.388	11	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	121.4905	0.029	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.7715	0.616	6	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.8340	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,1|H<1>,1|H<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.4030	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Mo<10>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Mo<10>,1|Si<4>,1|C<4>,1|H<1>}	120.0810	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<3>,1|Ni<4>,1|C<4>,1|H<1>}	120.5740	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,2|H<1>}	120.0250	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,2|C<4>}	119.0340	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Th<14>,1|C<4>,1|H<1>,1|H<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<4>,1|H<1>,1|N<3>}	120.2190	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ti<11>,1|C<4>,1|H<1>,1|H<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	119.7660	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|W<10>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|W<10>,1|C<4>,1|H<1>}	119.5690	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<11>,1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<11>,1|C<4>,1|H<1>,1|N<3>}	120.7590	0.000	1	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<14>,1|C<4>,1|H<1>}	120.8880	0.000	2	121.0234	3.381	91	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	120.8970	0.000	1	120.8970	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.7155	0.142	2	121.0120	0.459	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	120.1880	0.000	1	121.0120	0.459	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	120.6050	0.468	2	121.0120	0.459	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	121.2430	0.000	1	121.0120	0.459	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	121.1020	0.000	1	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ti<6>,1|C<3>,1|H<1>,1|N<3>}	122.0330	0.000	1	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	121.1970	0.000	1	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ti<7>,1|C<3>,1|H<1>,1|N<3>}	121.4123	0.440	3	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	120.4580	0.000	1	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	121.4930	0.596	3	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	120.4870	0.000	1	121.2721	0.320	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|S<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	121.7430	0.023	2	121.4176	0.100	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|S<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	121.0310	0.000	1	121.4176	0.100	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3){1|S<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	121.2855	0.067	2	121.4176	0.100	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.7580	0.652	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.6360	0.000	1	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.6730	0.000	1	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.8160	0.253	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.0837	0.560	15	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.0785	0.026	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.4880	0.000	1	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.2440	0.000	1	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.4868	1.360	5	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.4090	0.000	1	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	120.1383	1.044	3	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.7505	0.658	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.5152	0.813	8	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	120.9725	1.013	4	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.8620	0.937	30	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.3277	0.697	3	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.2630	0.727	4	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.4688	0.456	4	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	121.4125	0.286	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	121.8423	0.939	4	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.4425	1.149	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	121.5968	1.347	20	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.4900	0.340	6	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<16>,1|C<4>,1|C<5>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Y<16>,1|C<4>,1|H<1>}	121.1485	0.499	2	121.2112	0.901	125	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9370	2.004	3	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	121.8955	1.199	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5706	0.557	10	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	122.8230	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.8570	0.329	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.9480	0.427	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	121.0200	0.197	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	121.5695	0.156	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.9945	0.443	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	121.1765	1.254	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.7480	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.9250	0.286	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.1304	0.962	9	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.8478	0.597	11	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.6122	0.334	11	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	122.2090	2.044	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.7037	1.030	54	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	121.0220	0.628	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	121.4360	0.721	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.1659	1.022	22	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.7668	0.141	5	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	121.9420	0.539	5	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.5292	1.032	8	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.2816	0.814	18	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	122.0475	0.459	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.5283	1.407	17	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.3878	1.852	21	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	121.5837	0.577	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	121.9470	0.495	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.7637	0.884	31	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	121.9265	1.124	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.3520	0.798	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.1984	1.599	30	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	121.5790	0.091	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.6600	0.559	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	121.8160	0.042	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.5750	0.185	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	122.0120	0.315	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	122.0515	0.405	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.1430	0.083	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.8522	0.426	15	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.9670	0.629	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	125.0790	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.1550	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.9376	1.147	5	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.7080	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	121.2900	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	119.8980	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.2213	0.377	3	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.8837	0.851	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.5990	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9170	0.354	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.3340	0.795	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.5765	0.279	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.7570	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.8495	0.303	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	120.4270	0.000	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.4830	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.7547	0.685	3	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9900	0.202	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	121.0153	0.770	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.9600	0.847	5	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.8020	0.788	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.9990	0.059	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.6820	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9697	0.535	46	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	120.6593	0.840	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.5120	0.038	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.3665	0.620	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9950	0.515	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.1386	0.706	5	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.3960	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.9100	0.392	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.6510	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	120.3880	0.127	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	121.6675	0.422	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	121.5870	0.277	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.5791	0.507	35	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Bi<4>,1|C<3>,1|H<1>}	121.0115	3.354	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.6910	1.196	78	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	121.0930	0.141	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	121.4795	0.501	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.4480	0.836	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5325	0.677	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.7156	0.587	30	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.5132	0.501	8	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	121.6500	0.204	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	121.5100	0.641	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.1096	0.811	80	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	121.7322	0.558	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.5900	0.891	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	121.5205	0.844	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	121.4625	0.211	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.7125	0.513	24	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.7357	1.010	10	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.8243	0.354	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	121.4418	1.096	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	121.7694	1.235	16	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	121.5440	0.484	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.1370	0.641	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	121.7825	0.403	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	121.6439	0.816	16	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.5907	0.490	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.5850	0.268	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.9811	1.398	16	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.6358	0.532	24	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>}	121.4490	1.728	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.6399	1.120	28	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	121.3400	0.980	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	121.6770	0.510	6	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.7604	0.417	10	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	121.4550	0.534	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.6887	0.478	18	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.6370	0.229	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	121.9940	0.761	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	121.2990	0.451	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	121.6064	0.460	8	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>}	121.6910	0.743	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	121.7075	0.531	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	121.6453	0.678	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	122.1680	0.153	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.3213	1.585	4	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Rh<8>,1|Ru<9>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	121.0840	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<10>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>}	120.8260	0.445	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<9>,1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<7>,1|Ru<9>,1|C<4>,1|H<1>}	120.0695	0.624	2	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Y<15>,1|C<4>,1|H<1>}	121.0970	0.000	1	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<12>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zr<12>,1|C<4>,1|H<1>}	120.3222	0.581	8	121.4349	1.045	969	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	120.6285	0.457	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	122.0460	0.000	1	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	120.9893	0.263	3	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cd<6>,1|C<3>,1|H<1>}	122.2030	0.800	4	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.6430	0.000	1	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.1655	0.043	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.8950	0.000	1	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.2485	0.487	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.2560	0.000	1	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.9295	0.425	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	122.1860	0.000	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.5270	0.000	1	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	120.7870	0.000	1	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.2276	0.557	46	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	121.5187	1.144	6	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.7280	0.057	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.0430	0.033	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9802	0.181	4	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.6810	0.474	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.0485	0.363	2	121.3535	0.420	87	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	122.1327	1.242	3	121.4447	1.157	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	120.2740	0.487	3	121.4447	1.157	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.8295	0.162	2	121.4447	1.157	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	121.5173	0.484	4	121.4447	1.157	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.2310	1.179	5	121.4447	1.157	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.1730	1.960	2	121.4447	1.157	19	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.4820	0.160	2	122.4820	0.026	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	121.7770	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|V<7>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	120.9659	0.403	7	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|W<7>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	121.0010	0.020	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.3222	0.465	6	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ti<12>,1|C<3>,1|H<1>,1|O<2>}	120.8150	0.341	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	120.2470	3.035	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<3>,1|H<1>,1|O<2>}	121.4550	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	121.1990	0.293	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,2|H<1>}	117.9540	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	121.3910	0.383	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.4062	0.753	6	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	120.0111	0.301	8	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Tb<14>,1|C<3>,1|H<1>,1|O<3>}	121.6430	0.612	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	121.4895	1.085	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Cu<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Cu<6>,1|B<4>,1|C<4>,1|H<1>}	120.6480	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Dy<15>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<2>}	121.9550	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Fe<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Fe<10>,1|Si<5>,1|C<4>,1|H<1>}	119.5080	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Gd<17>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	120.9945	0.520	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	122.1047	0.522	6	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	121.8930	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1020	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|La<22>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|La<22>,1|C<4>,1|H<1>,1|N<3>}	121.3740	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Mo<9>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	120.8705	0.771	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	120.4220	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<5>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<4>,1|H<1>}	120.0190	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.5430	0.115	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	121.5010	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	121.3425	0.411	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	119.7650	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	120.7580	0.356	3	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	121.6830	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|B<3>,1|C<4>,1|H<1>}	120.0930	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|H<1>,2|C<4>}	119.7110	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|B<4>,1|C<4>,1|H<1>}	119.1510	0.236	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|C<4>,2|H<1>}	121.2200	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8530	0.197	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>}	119.8740	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|S<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	121.1755	0.213	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ta<11>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	121.2235	0.622	6	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ta<12>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	121.1402	0.610	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	120.9200	0.896	8	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,1|H<1>,1|H<2>}	120.4070	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,2|H<1>}	119.0340	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<4>,1|H<1>,1|O<3>}	121.3750	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<10>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	121.3190	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<13>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	120.7355	0.538	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<4>,1|H<1>,1|H<2>}	118.1460	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.3912	0.998	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Mo<5>,1|C<3>,1|H<1>}	121.3430	1.253	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	120.9180	0.327	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	121.0040	0.779	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<9>}	121.4622	0.702	8	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	121.7840	1.932	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>}	121.2863	0.729	3	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>}	121.2280	0.657	3	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>}	121.3793	0.394	3	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	121.1675	0.400	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Lu<12>,1|C<3>,1|H<1>,1|O<2>}	121.0520	0.308	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	121.0895	1.319	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	120.9380	0.670	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<3>}	121.1095	0.129	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	121.2050	0.701	6	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	121.1804	0.515	8	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<13>,1|C<3>,1|H<1>,1|N<3>}	119.9910	3.058	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	120.9780	1.054	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Y<12>,1|C<3>,1|H<1>,1|O<2>}	121.2400	0.843	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Yb<10>,1|C<3>,1|H<1>,1|O<3>}	121.0390	0.000	1	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<3>}	120.2425	1.702	2	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Cr<7>,1|C<3>,1|H<1>}	121.0155	0.298	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Cu<2>,1|C<3>,1|H<1>}	120.6739	1.260	14	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Fe<3>,1|C<3>,1|H<1>}	120.5610	0.638	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Mn<4>,1|C<3>,1|H<1>}	120.1707	0.947	4	120.9060	1.060	201	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	121.0650	0.000	1	121.3800	0.882	14	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Er<10>,1|H<1>,1|N<3>,3|C<3>}	121.6292	0.480	4	121.3800	0.882	14	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.0870	0.000	1	121.3800	0.882	14	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Yb<10>,1|H<1>,1|N<3>,3|C<3>}	121.4564	1.115	8	121.3800	0.882	14	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	121.1672	0.575	4	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8552	0.295	5	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	121.0100	0.709	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	122.0085	0.177	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	121.3395	0.122	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.8090	0.723	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	122.1780	0.008	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	121.9700	0.000	1	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	120.5110	0.127	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	120.9070	0.720	8	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	120.8156	0.553	11	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.1204	0.358	12	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.4090	0.000	1	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	120.5620	0.733	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.5854	0.964	20	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	118.9420	0.000	1	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	121.0780	0.949	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	121.1850	0.659	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	121.4985	0.818	22	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	122.5320	0.482	6	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	121.5478	0.647	5	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	121.9000	0.000	1	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	121.0819	0.800	8	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	121.4071	1.039	18	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	121.1780	0.933	4	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	121.7962	1.460	15	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.3924	1.197	15	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	120.9886	0.285	5	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	120.8000	0.317	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	121.2334	0.872	30	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	121.3485	0.538	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	121.2390	0.444	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	121.2230	0.758	27	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	121.5800	0.156	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	121.3640	0.556	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	120.5910	0.014	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	120.7305	0.124	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	121.1590	0.291	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	121.0605	0.402	2	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|Ru<9>,1|H<1>,1|N<4>,2|C<3>}	121.2700	0.000	1	121.2278	0.804	256	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	119.8405	0.750	2	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	121.1048	0.713	5	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	121.1622	0.507	31	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	120.6212	0.197	5	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.3050	1.520	2	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.5846	1.242	5	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,3|C<3>}	120.4270	0.000	1	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	120.7310	0.000	1	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	121.2455	0.760	2	121.0837	0.487	54	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	120.9137	0.727	3	120.6585	0.559	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.2040	0.000	1	120.6585	0.559	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	121.4230	0.000	1	120.6585	0.559	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){3|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.3127	0.739	6	120.6585	0.559	11	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]Br)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5137	1.918	3	121.5137	3.680	3	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6140	0.000	1	120.2685	0.857	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	120.9230	0.000	1	120.2685	0.857	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.2620	0.000	1	118.5557	2.017	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Mn<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.8220	0.000	1	118.5557	2.017	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Re<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.3310	0.000	1	118.5557	2.017	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Rh<8>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.6360	1.659	2	118.5557	2.017	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.1015	0.517	2	118.5557	2.017	7	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,4|C<3>}	117.6620	0.000	1	117.6620	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.6960	0.639	2	118.2344	1.449	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2160	0.000	1	118.2344	1.449	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1358	0.387	4	118.2344	1.449	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Re<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.2740	0.000	1	118.2344	1.449	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.6850	0.000	1	118.2344	1.449	9	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	121.6320	0.218	2	121.6320	0.047	2	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.6632	0.595	6	121.6632	0.354	6	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>}	121.9078	0.921	4	121.9078	0.848	4	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.3560	0.000	1	119.2014	0.111	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<7>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.8755	0.288	2	119.2014	0.111	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Pd<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.4500	0.035	2	119.2014	0.111	5	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	120.4480	0.000	1	120.4480	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.8770	0.000	1	122.3427	0.419	3	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	122.5755	0.716	2	122.3427	0.419	3	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>}	120.0700	0.000	1	120.0700	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>}	118.0010	0.000	1	118.0010	0.000	1	121.4738	1.581	2729	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I)	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	126.1080	0.000	1	126.1080	0.000	1	125.4043	2.118	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I)	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	125.0525	1.869	2	125.0525	3.493	2	125.4043	2.118	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	117.4300	0.000	1	117.4300	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	117.6545	0.218	2	117.1185	0.434	4	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	116.5825	0.326	2	117.1185	0.434	4	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.1300	0.000	1	116.1300	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,2|C<4>}	117.0610	0.000	1	117.0610	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){3|C<4>}	115.1270	0.132	2	115.1270	0.017	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	117.4960	0.000	1	117.4960	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	116.8315	1.168	4	116.8315	1.364	4	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|O<1>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	115.9970	0.148	2	115.9970	0.022	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	117.2360	0.445	2	117.2360	0.198	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	117.6130	0.000	1	117.6130	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	117.0960	0.000	1	117.0960	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	115.3955	0.173	2	115.3955	0.030	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	113.3700	0.000	1	113.3700	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	113.9810	0.000	1	113.9810	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){3|C<4>}	115.9627	0.529	4	115.9353	2.572	14	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	115.4906	1.399	9	115.9353	2.572	14	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|C<3>}	119.8280	0.000	1	115.9353	2.572	14	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|Cl<1>,1|C<3>,2|C<4>}	115.9990	0.000	1	115.9990	0.000	1	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	117.4130	0.000	1	117.5297	0.086	4	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	117.5687	0.347	3	117.5297	0.086	4	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.9303	0.187	4	117.4121	0.267	25	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>}	116.2880	0.000	1	117.4121	0.267	25	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.3647	0.455	20	117.4121	0.267	25	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	119.4110	1.068	2	119.4110	1.140	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	118.2680	0.000	1	118.7445	0.454	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	119.2210	0.000	1	118.7445	0.454	2	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	118.8090	0.000	1	118.9028	4.471	5	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	121.0265	0.459	2	118.9028	4.471	5	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	116.8260	0.136	2	118.9028	4.471	5	116.9978	2.127	77	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	118.5800	0.590	2	118.5800	0.348	2	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.1119	0.462	23	120.1160	0.205	24	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	120.2100	0.000	1	120.1160	0.205	24	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	119.4070	0.000	1	119.4070	0.000	1	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.0895	0.108	2	120.0895	0.012	2	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	118.4200	0.000	1	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	120.9180	0.000	1	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.5520	0.000	1	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.8019	1.402	10	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.1506	0.576	8	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	122.0545	0.415	2	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.7763	0.535	6	120.0304	1.230	29	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|D<1>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	120.5330	0.000	1	120.5330	0.000	1	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2193	0.954	48	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	120.8920	0.000	1	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	121.3180	0.000	1	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9489	0.357	7	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.9400	0.286	2	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.9731	0.563	40	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.4248	0.477	28	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.5030	0.000	1	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.1020	0.000	1	120.9045	1.090	129	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	119.7490	0.000	1	119.7490	0.000	1	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.1650	0.243	2	119.7423	0.557	14	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.4710	0.552	8	119.7423	0.557	14	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.5120	0.000	1	119.7423	0.557	14	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.2370	0.511	2	119.7423	0.557	14	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.3080	0.000	1	119.7423	0.557	14	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|U<16>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]U)(H){1|C<3>,2|H<1>}	116.6350	0.000	1	116.6350	0.000	1	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.8937	0.290	3	120.8937	0.084	3	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	117.6005	0.725	30	117.5875	0.513	31	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	117.1970	0.000	1	117.5875	0.513	31	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7900	0.000	1	119.7900	0.000	1	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.9180	0.000	1	120.9180	0.000	1	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.0283	0.285	12	119.0283	0.081	12	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	118.3795	0.220	4	118.3795	0.048	4	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	123.8840	0.000	1	122.9297	0.767	3	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>}	122.4525	0.411	2	122.9297	0.767	3	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	123.4938	0.391	4	123.4938	0.153	4	120.1659	2.293	263	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	111.4760	0.000	1	111.4760	0.000	1	117.3666	4.955	12	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	114.6520	0.000	1	114.6520	0.000	1	117.3666	4.955	12	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	117.8428	0.693	6	117.8428	0.480	6	117.3666	4.955	12	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	118.8035	0.372	4	118.8035	0.138	4	117.3666	4.955	12	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:S-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]B)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]B)(S){1|C<3>,1|H<1>}	119.5990	0.454	2	119.5990	0.206	2	119.5990	0.206	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:P[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6]W)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(P[6]C[6]W)(H){1|C<4>,2|C<3>}	117.8860	0.539	3	117.8860	0.290	3	117.8860	0.290	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.1890	0.243	2	121.1890	0.059	2	121.5424	0.276	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	121.5667	0.234	3	121.5667	0.055	3	121.5424	0.276	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H){3|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.9380	0.598	4	121.6480	0.455	6	121.5424	0.276	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H){3|Cl<1>,1|H<1>,1|N<3>,1|O<3>,2|C<3>}	121.0680	0.436	2	121.6480	0.455	6	121.5424	0.276	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|N<2>,4|C<3>}	119.8780	0.000	1	119.8780	0.000	1	120.2190	0.233	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	120.5600	0.000	1	120.5600	0.000	1	120.2190	0.233	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	117.9040	0.000	1	117.9040	0.000	1	119.7965	2.253	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	121.5410	0.000	1	121.5410	0.000	1	119.7965	2.253	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	119.8705	0.350	2	119.8705	0.123	2	119.7965	2.253	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3){1|Ni<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7480	0.086	2	116.7480	0.007	2	116.7480	0.007	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|Os<8>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6]Os)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.6465	0.063	2	119.6465	0.004	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cd<8>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cd)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.4462	0.658	4	118.4462	0.433	4	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Co<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.1045	0.680	4	118.1045	0.462	4	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<10>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	120.4070	0.000	1	118.7770	5.314	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	117.1470	0.000	1	118.7770	5.314	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.2540	0.321	6	118.2826	0.101	8	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.3685	0.414	2	118.2826	0.101	8	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Fe<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Fe)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	116.1642	1.753	8	116.1642	3.072	8	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Mn<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Mn)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.5422	0.562	12	118.5422	0.316	12	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Ni<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.6180	0.963	54	118.6180	0.928	54	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Re<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Re)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.1452	0.541	6	118.1452	0.292	6	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Zn<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	120.6995	0.805	2	120.6995	0.649	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.9220	0.000	1	119.9220	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Cu<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.5417	0.152	3	118.5417	0.023	3	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.2310	0.000	1	119.2310	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Zn<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.5345	0.370	2	119.5345	0.137	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.4325	0.870	4	119.4325	0.758	4	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.9130	0.000	1	119.9130	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.7400	0.000	1	119.7400	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.0590	0.000	1	120.0590	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Ti<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.3380	0.000	1	119.3380	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	119.0460	0.000	1	119.0460	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.8760	0.000	1	121.7590	1.167	5	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	122.2297	0.281	4	121.7590	1.167	5	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ca)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ca<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ca)(C[6]C[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	121.7850	0.125	6	121.7850	0.016	6	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3385	0.479	4	120.3385	0.229	4	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.4402	0.208	4	120.5390	0.151	7	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5155	0.735	2	120.5390	0.151	7	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9810	0.000	1	120.5390	0.151	7	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9305	0.127	2	120.9305	0.016	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.4787	0.526	3	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.8610	0.000	1	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.6320	1.545	3	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6148	0.603	14	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.0215	0.039	2	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6359	0.868	8	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9239	0.391	7	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6590	0.000	1	120.6937	0.584	39	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<13>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6800	0.171	2	121.3410	0.479	5	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	121.7817	0.464	3	121.3410	0.479	5	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.1880	0.000	1	120.4164	0.812	27	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.5070	0.835	5	120.4164	0.812	27	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.4585	0.243	6	120.4164	0.812	27	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.0683	0.611	13	120.4164	0.812	27	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.7580	0.000	1	120.4164	0.812	27	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.1240	0.000	1	120.4164	0.812	27	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3046	0.594	8	120.3046	0.353	8	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.4502	1.438	8	120.4349	1.680	10	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3735	0.797	2	120.4349	1.680	10	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9041	0.616	7	120.9041	0.379	7	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3307	0.470	4	120.9843	0.822	22	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	121.1470	0.756	3	120.9843	0.822	22	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.6830	0.222	3	120.9843	0.822	22	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|Sn<3>,1|C<3>,1|H<1>}	120.9868	1.049	12	120.9843	0.822	22	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9843	0.261	4	120.2807	0.437	6	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.8735	0.962	2	120.2807	0.437	6	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.4790	0.901	2	120.5490	0.658	9	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	121.3870	0.457	2	120.5490	0.658	9	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.5390	0.000	1	120.5490	0.658	9	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9175	0.292	4	120.5490	0.658	9	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.7384	0.273	9	120.8076	0.114	10	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.4300	0.000	1	120.8076	0.114	10	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3975	0.536	4	120.6540	0.545	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.3860	0.000	1	120.6540	0.545	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.7129	0.284	9	120.6540	0.545	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.9356	1.074	8	120.6540	0.545	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4100	0.539	2	120.6540	0.545	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4648	0.512	9	120.4648	0.262	9	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<2>,1|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.4190	0.000	1	119.9775	0.429	17	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.0301	0.873	8	119.9775	0.429	17	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.2090	0.505	2	119.9775	0.429	17	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.7680	0.000	1	119.9775	0.429	17	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3220	0.000	1	119.9775	0.429	17	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.8625	0.457	4	119.9775	0.429	17	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.8065	1.562	8	120.5568	1.219	32	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	122.5270	1.450	2	120.5568	1.219	32	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6394	0.513	19	120.5568	1.219	32	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.7210	0.835	3	120.5568	1.219	32	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9159	0.857	12	120.3630	0.558	30	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2688	0.352	6	120.3630	0.558	30	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.8572	0.438	12	120.3630	0.558	30	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Rh<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.8290	0.000	1	120.8290	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6910	2.359	4	121.2399	1.970	19	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.9903	1.630	4	121.2399	1.970	19	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.1666	0.983	11	121.2399	1.970	19	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5968	0.434	4	120.6132	0.114	6	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6460	0.011	2	120.6132	0.114	6	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ti<12>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.0773	0.618	4	120.0773	0.382	4	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2084	0.245	8	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.5260	0.000	1	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2503	0.782	3	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4898	1.273	4	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5450	0.573	2	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.8580	0.000	1	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.6630	0.544	2	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4777	0.634	3	120.8171	0.601	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	120.9396	0.910	7	120.9396	0.829	7	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	120.8155	0.541	6	120.7190	0.505	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	120.6584	0.880	12	120.7190	0.505	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	120.7437	0.551	6	120.7190	0.505	24	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.0060	0.014	2	121.0060	0.000	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>}	118.1300	0.280	2	118.1300	0.078	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.9910	0.753	4	119.9910	0.567	4	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.1340	0.000	1	121.1340	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.8600	0.000	1	120.8600	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.8430	1.219	2	120.9553	1.371	26	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.9647	1.193	24	120.9553	1.371	26	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.0327	1.224	3	120.0327	1.498	3	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.2063	1.155	3	120.2063	1.335	3	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.4930	0.000	1	120.2670	0.102	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.0410	0.000	1	120.2670	0.102	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.0150	0.000	1	121.0150	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.9400	0.000	1	117.9400	0.000	1	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){5|C<3>}	118.6355	0.156	2	118.6355	0.024	2	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	123.5484	0.553	5	123.5484	0.305	5	120.2014	1.851	535	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Zn<5>,1|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>}	119.0250	0.935	2	119.0250	0.874	2	119.0250	0.874	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Mn)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	117.9630	0.197	2	117.9630	0.039	2	118.9407	0.477	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Sm<12>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.1830	0.000	1	119.1830	0.000	1	118.9407	0.477	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Tm)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Tm<12>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Tm)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.4150	0.074	2	119.4150	0.005	2	118.9407	0.477	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Yb)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Yb<12>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Yb)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.3230	0.321	2	119.3230	0.103	2	118.9407	0.477	7	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.1455	0.230	2	124.1455	0.053	2	124.1455	0.053	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.0210	0.427	2	123.7707	0.279	3	123.7707	0.279	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.2700	0.000	1	123.7707	0.279	3	123.7707	0.279	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.5900	0.231	3	124.5900	0.053	3	124.5900	0.053	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Ag)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]Ag)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ag<5>,1|H<1>,3|C<3>}	123.1010	0.328	2	123.1010	0.108	2	123.6300	0.893	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	124.6880	0.000	1	124.6880	0.000	1	123.6300	0.893	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	126.6990	1.105	2	126.6990	1.220	2	126.6267	0.626	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(Br){1|C<3>,2|H<1>}	126.4820	0.000	1	126.4820	0.000	1	126.6267	0.626	3	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	125.9380	0.953	2	125.9380	0.909	2	125.9380	0.909	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<4>}	118.4075	1.162	2	118.4075	1.350	2	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	123.3965	0.473	2	118.5624	15.333	11	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	115.2615	1.139	6	118.5624	15.333	11	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	121.9413	0.360	3	118.5624	15.333	11	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.2755	0.834	4	121.2573	1.044	10	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.5785	0.282	6	121.2573	1.044	10	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.3958	0.688	10	120.3958	0.474	10	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.0980	0.542	2	120.9797	0.535	25	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.7736	0.342	7	120.9797	0.535	25	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.4708	0.275	14	120.9797	0.535	25	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<2>,1|C<3>,1|C<4>}	120.8640	0.000	1	120.9797	0.535	25	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.4260	0.000	1	120.9797	0.535	25	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.0122	0.438	24	121.3312	0.590	44	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.6192	1.081	13	121.3312	0.590	44	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|C<4>}	122.1025	0.323	2	121.3312	0.590	44	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	121.7980	0.000	1	121.3312	0.590	44	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	122.2445	0.424	2	121.3312	0.590	44	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.3695	0.185	2	121.3312	0.590	44	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.4257	0.436	14	120.8464	0.839	20	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	122.2320	0.000	1	120.8464	0.839	20	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	122.9510	0.086	2	120.8464	0.839	20	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.9447	0.296	3	120.8464	0.839	20	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.1163	0.264	6	120.1163	0.070	6	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|D<1>,1|H<1>}	124.6320	0.000	1	124.6320	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|C<3>,2|H<1>,2|O<2>}	125.0350	0.091	2	125.0350	0.008	2	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]B)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]B)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.7200	0.000	1	123.7200	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.6393	0.913	15	123.8046	1.200	43	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.4390	1.413	2	123.8046	1.200	43	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.8178	1.235	24	123.8046	1.200	43	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.2520	0.085	2	123.8046	1.200	43	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	124.5570	0.081	2	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	124.6578	0.668	9	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.3264	0.920	59	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.9857	1.135	3	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.0854	1.270	49	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.5815	1.145	2	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.1600	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.7795	0.193	2	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	123.7477	0.595	7	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.4438	0.588	26	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	124.8330	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<12>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	126.5000	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<13>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	125.5620	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.4549	0.650	8	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.2750	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.4410	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.1530	0.000	1	124.5545	1.084	174	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){2|H<1>,3|C<3>}	124.4210	0.000	1	124.4210	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	125.6363	0.508	3	125.3775	0.440	4	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	124.6010	0.000	1	125.3775	0.440	4	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	125.0750	0.106	3	124.6125	0.725	22	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	125.0328	0.290	6	124.6125	0.725	22	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|O<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	125.0800	0.000	1	124.6125	0.725	22	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	123.6170	0.558	6	124.6125	0.725	22	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	125.1136	0.906	5	124.6125	0.725	22	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Se<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	123.7040	0.000	1	124.6125	0.725	22	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<4>,2|H<1>}	122.4505	0.128	2	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	124.6910	0.000	1	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	124.8076	0.845	33	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	125.6440	0.000	1	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	124.8736	0.743	5	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	123.6036	0.845	7	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|H<1>,2|C<3>}	123.7740	1.059	3	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	123.9930	0.472	5	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	125.0875	0.416	15	124.5983	0.865	72	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	122.6390	0.520	4	122.6390	0.270	4	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	123.8600	0.000	1	123.8600	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.8320	0.000	1	124.8320	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.9085	0.416	6	124.9504	0.790	21	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.9040	0.000	1	124.9504	0.790	21	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|C<3>,1|O<1>}	128.2270	0.000	1	124.9504	0.790	21	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.8591	0.449	12	124.9504	0.790	21	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	124.0670	0.000	1	124.9504	0.790	21	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	125.0500	0.000	1	125.0500	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	122.9125	0.438	2	122.9125	0.192	2	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|S<4>,2|C<4>}	124.3340	0.000	1	124.3340	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]U)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|U<11>,1|C<3>,1|H<1>}	123.9090	0.000	1	123.9090	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	122.3370	0.000	1	122.3370	0.000	1	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]Y)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]Y)(CH3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Y<16>,1|C<4>,1|H<1>}	121.2105	0.018	2	121.2105	0.000	2	123.4747	4.138	483	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	121.4690	0.115	2	121.4690	0.013	2	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	122.8530	0.000	1	122.8530	0.000	1	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.2640	1.911	2	117.2640	3.650	2	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	123.4490	0.000	1	123.5384	0.156	14	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	123.4472	0.426	6	123.5384	0.156	14	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	123.2340	0.000	1	123.5384	0.156	14	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	123.7662	0.436	4	123.5384	0.156	14	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	123.2450	0.000	1	123.5384	0.156	14	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	123.8620	0.000	1	123.5384	0.156	14	122.6241	4.310	19	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H)	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	125.4140	0.000	1	125.4763	0.048	3	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	125.5075	0.301	2	125.4763	0.048	3	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	123.3020	0.000	1	123.3020	0.000	1	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	123.4460	0.000	1	123.8970	0.407	2	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	124.3480	0.000	1	123.8970	0.407	2	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,4|C<4>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	115.2750	0.000	1	115.6745	0.319	2	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<3>,2|N<2>,4|C<4>}	C(C[6]N[4,6]C[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	116.0740	0.000	1	115.6745	0.319	2	122.3593	17.852	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	121.6070	0.004	2	121.6070	0.000	2	121.6070	0.000	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H){1|Ga<5>,2|C<3>}	120.8180	0.000	1	120.9560	0.299	8	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H){1|Ga<5>,2|C<3>}	121.0975	0.538	6	120.9560	0.299	8	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H){1|Ga<5>,2|C<3>}	120.2450	0.000	1	120.9560	0.299	8	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	123.1570	0.000	1	121.5613	4.206	4	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	123.4800	0.000	1	121.5613	4.206	4	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.8040	0.464	2	121.5613	4.206	4	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	124.9120	0.000	1	123.0390	3.170	5	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.1535	0.490	2	123.0390	3.170	5	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	123.9880	0.137	2	123.0390	3.170	5	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3){2|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	121.9080	0.000	1	121.9080	0.000	1	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	126.5589	0.892	14	126.5589	0.795	14	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	124.9275	0.086	2	124.9275	0.007	2	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	118.0040	0.000	1	118.0040	0.000	1	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]N[5,6]C)(H)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]N[5,6]C)(H){1|Ga<5>,1|C<4>,2|C<3>}	116.9910	0.346	2	116.9910	0.120	2	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|Li<6>,1|N<3>,2|C<4>,2|H<1>,2|O<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Ga<6>,1|Li<6>,1|C<4>}	116.6655	0.045	2	116.6655	0.002	2	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)2(H)	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)2(H){1|In<5>,2|C<3>}	115.3118	0.697	4	115.3118	0.485	4	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|O<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<6>,1|C<4>}	116.3410	0.427	2	116.2135	0.226	6	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	115.9500	0.643	2	116.2135	0.226	6	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<6>,1|C<4>}	116.3495	0.569	2	116.2135	0.226	6	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,1|S<2>,3|C<3>,3|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	116.1047	0.871	3	116.1047	0.758	3	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	118.5990	0.000	1	118.5990	0.000	1	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<5>,1|C<4>}	116.9135	0.023	2	116.9135	0.001	2	121.0411	18.238	55	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){5|C<3>}	125.7100	0.000	1	125.7100	0.000	1	125.7100	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]C)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]C)(H){1|B<4>,2|C<3>}	121.4300	0.000	1	121.4300	0.000	1	123.5606	9.152	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	124.6800	4.370	2	124.6800	19.096	2	123.5606	9.152	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	126.6090	0.000	1	126.6090	0.000	1	123.5606	9.152	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	127.1990	0.000	1	127.1990	0.000	1	123.5606	9.152	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	121.3140	0.000	1	121.2957	0.003	3	123.5606	9.152	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	121.2865	0.069	2	121.2957	0.003	3	123.5606	9.152	8	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(CH3){1|N<2>,4|C<3>}	C(C[6]N[5a,6]C[6])(H)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]C)(H){5|C<3>}	122.5890	0.000	1	122.5890	0.000	1	122.5890	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6,6]C)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6,6]C)(H){1|C<4>,2|C<3>}	121.2020	0.000	1	121.2020	0.000	1	117.2164	3.818	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.6550	0.000	1	119.4545	0.080	2	117.2164	3.818	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.2540	0.000	1	119.4545	0.080	2	117.2164	3.818	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H)	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H){1|Nb<5>,2|C<3>}	115.7800	0.754	2	115.7800	0.568	2	117.2164	3.818	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	116.5530	1.171	2	116.5530	1.371	2	117.2164	3.818	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	116.1508	0.485	4	116.1508	0.235	4	117.2164	3.818	11	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	C(C[6]N[6,6a]C[6])(H)3	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[6]N[6,6a]C[6])(H)3	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.2310	0.238	4	121.2310	0.056	4	121.2310	0.056	4	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CClHH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.1260	0.000	1	121.1260	0.000	1	120.7960	0.218	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CClHH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.4660	0.000	1	120.4660	0.000	1	120.7960	0.218	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CF3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	120.2318	0.775	16	120.2318	0.600	16	120.4405	1.071	22	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.4570	0.000	1	120.4314	0.331	5	120.4405	1.071	22	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.6750	0.213	4	120.4314	0.331	5	120.4405	1.071	22	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]N[6]C)2(H){1|Fe<6>,1|C<3>}	123.8260	0.000	1	123.8260	0.000	1	120.4405	1.071	22	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH)	C(C[6]C[6]N[6])(F)2(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH){1|H<1>,1|N<2>,4|C<3>}	C(C[6]C[6]N[6])(F)2(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|C<4>,3|C<3>}	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	120.2110	0.000	1	120.2110	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	120.3740	0.000	1	120.3740	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	118.9970	0.000	1	119.2597	0.058	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	119.3910	0.109	2	119.2597	0.058	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	121.4580	0.000	1	121.4580	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	123.7387	0.358	4	123.7387	0.128	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.4080	0.328	3	120.4080	0.107	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	123.6925	0.540	2	123.6925	0.291	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H)	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|N<2>}	119.9400	0.966	2	119.9400	0.933	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	123.9070	0.000	1	123.9070	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|C<4>}	122.4020	0.000	1	121.8293	0.700	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|C<4>}	120.8690	0.000	1	121.8293	0.700	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|C<4>}	122.2170	0.000	1	121.8293	0.700	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|B<5>,2|C<3>}	119.4180	0.000	1	119.4180	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	121.8047	1.149	4	121.8047	1.321	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	121.0405	0.121	2	121.0405	0.015	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	121.4340	0.000	1	121.4340	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	121.3075	0.292	2	121.2600	0.067	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<2>,1|C<3>}	121.4450	0.000	1	121.2600	0.067	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	120.9800	0.000	1	121.2600	0.067	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Dy)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Dy)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Dy<13>,1|C<3>,1|C<4>}	120.6423	0.312	3	120.6423	0.097	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	125.2935	0.360	2	125.2935	0.130	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|C<4>}	118.7610	0.000	1	118.7610	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	117.3410	0.000	1	117.3410	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<9>,2|C<3>}	118.5950	0.148	2	118.5950	0.022	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	121.8540	0.000	1	121.8540	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ag<4>,4|C<3>}	120.8869	0.523	8	120.8869	0.274	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<3>,2|C<3>}	120.6865	0.142	2	120.6865	0.020	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<4>,2|C<3>}	120.2097	1.454	4	120.5287	0.873	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	120.5925	0.835	20	120.5287	0.873	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	120.5630	0.000	1	120.5630	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<4>,2|C<3>}	121.6127	0.587	3	121.6127	0.345	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<4>,4|C<3>}	121.8647	0.419	6	121.8647	0.176	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	120.4884	1.003	8	120.2716	0.724	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	120.3334	1.082	7	120.2716	0.724	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	119.8814	0.311	7	120.2716	0.724	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<7>,2|C<3>}	120.5535	0.616	2	120.2716	0.724	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Cu<4>,4|C<3>}	120.3702	1.059	10	120.3702	1.122	10	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	120.4855	0.005	2	121.1065	0.961	176	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	121.1280	1.002	161	121.1065	0.961	176	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	121.2987	0.409	7	121.1065	0.961	176	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	120.5133	0.814	6	121.1065	0.961	176	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<4>,2|C<3>}	121.6508	1.678	4	120.6766	1.744	19	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	121.5125	0.336	6	120.6766	1.744	19	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	119.6863	0.833	9	120.6766	1.744	19	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	122.6110	0.348	2	122.9329	0.104	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	123.0249	0.273	7	122.9329	0.104	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	122.6480	0.000	1	122.8127	0.404	35	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	122.8176	0.644	34	122.8127	0.404	35	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	122.9480	0.451	3	122.9480	0.203	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Hg<4>,4|C<3>}	121.4615	0.174	4	121.4615	0.030	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Hg<4>,2|C<3>}	121.2578	1.174	4	121.2578	1.379	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	119.9380	0.400	2	119.9380	0.160	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Li<4>,2|C<3>}	120.4645	0.639	4	120.7006	0.585	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Li<5>,2|C<3>}	121.6450	0.000	1	120.7006	0.585	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<5>,2|C<3>}	120.3970	0.091	2	120.1876	0.266	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	119.7073	0.240	3	120.1876	0.266	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<7>,2|C<3>}	120.1105	0.644	2	120.1876	0.266	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<8>,2|C<3>}	120.7755	0.322	2	120.1876	0.266	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mo<6>,2|C<3>}	119.0555	0.729	2	118.6101	0.572	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mo<8>,2|C<3>}	118.8534	0.266	9	118.6101	0.572	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mo<9>,2|C<3>}	117.0695	0.303	2	118.6101	0.572	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	120.9214	1.218	18	120.6924	1.345	29	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	120.8387	0.812	6	120.6924	1.345	29	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	118.8430	0.516	2	120.6924	1.345	29	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<7>,2|C<3>}	120.2587	0.443	3	120.6924	1.345	29	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	123.8400	0.000	1	123.8400	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pb<4>,2|C<3>}	120.7540	0.995	4	120.7540	0.989	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	118.7210	0.719	3	118.7210	0.517	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	119.0177	1.093	10	119.1635	1.097	12	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<6>,2|C<3>}	119.8925	0.214	2	119.1635	1.097	12	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Pt<4>,4|C<3>}	119.1988	0.481	4	119.1988	0.231	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	119.2324	0.736	17	119.6855	1.348	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<5>,2|C<3>}	118.1690	0.000	1	119.6855	1.348	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<6>,2|C<3>}	121.2222	0.690	6	119.6855	1.348	24	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Re<6>,4|C<3>}	118.5780	0.184	4	118.5780	0.034	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|Cl<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	118.4680	0.984	4	118.4680	0.967	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	118.9665	0.700	8	118.9665	0.490	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Rh<6>,2|C<3>}	119.7070	0.000	1	119.7070	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<5>,2|C<3>}	118.3010	0.000	1	119.5110	0.720	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<8>,2|C<3>}	119.8135	0.592	4	119.5110	0.720	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	118.4339	0.960	22	118.4754	0.919	23	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	119.3890	0.000	1	118.4754	0.919	23	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<4>,2|C<3>}	120.9990	1.001	2	120.1818	0.891	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<5>,2|C<3>}	120.7057	0.757	4	120.1818	0.891	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<6>,2|C<3>}	119.4358	0.492	5	120.1818	0.891	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	121.4681	0.714	18	121.1328	0.900	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	120.9560	0.785	3	121.1328	0.900	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	119.7567	0.816	4	121.1328	0.900	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	121.8335	0.012	2	121.7423	0.064	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	121.6968	0.314	4	121.7423	0.064	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ag<5>,1|C<3>}	122.8890	0.000	1	122.8890	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	119.8160	0.000	1	121.0965	1.276	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	120.8190	0.000	1	121.0965	1.276	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	121.9560	0.000	1	121.0965	1.276	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	122.1053	0.515	3	121.0965	1.276	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	119.9325	0.425	2	121.0965	1.276	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	121.2560	0.602	2	121.8925	0.392	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	122.2108	0.356	4	121.8925	0.392	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cd<6>,1|C<3>}	122.4140	0.000	1	123.2652	0.782	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cd<6>,1|C<3>}	123.5490	0.830	3	123.2652	0.782	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|As<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	120.5220	0.386	2	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|As<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.8935	1.056	2	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.6580	0.000	1	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.5162	1.121	5	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.8547	1.124	20	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	120.1900	0.000	1	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.0090	0.000	1	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.4525	0.702	4	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	122.7451	0.652	10	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.5550	1.811	5	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	120.2985	0.134	2	120.6980	2.223	53	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Co<6>,1|C<3>}	121.8350	0.472	2	121.8350	0.223	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	122.0420	0.368	2	120.8718	2.008	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	119.8407	1.305	3	120.8718	2.008	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	121.6250	0.000	1	120.8718	2.008	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cr<6>,1|C<3>,1|C<4>}	117.7310	0.000	1	117.7310	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.9880	0.000	1	121.8082	0.417	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.6825	0.536	4	121.8082	0.417	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.3642	0.700	4	121.8082	0.417	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.3330	0.479	4	121.8082	0.417	13	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	121.1650	0.659	4	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	122.0257	1.167	6	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.9122	1.001	19	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9174	0.890	14	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	121.1550	1.228	3	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.1893	0.929	3	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.5203	0.794	11	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.0057	0.382	3	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.3900	0.000	1	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.1126	0.727	57	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.6754	0.936	8	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.1330	0.566	2	121.1850	0.915	131	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<4>,1|H<1>,3|C<3>}	121.3159	0.802	11	121.3159	0.644	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>}	121.6580	1.348	2	121.5038	0.477	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){2|Cu<4>,1|C<3>}	121.3770	0.000	1	121.5038	0.477	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|Cu<6>,1|C<3>}	121.4130	0.102	2	121.5038	0.477	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cu<4>,1|C<3>}	121.5540	0.000	1	122.0775	0.548	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cu<6>,1|C<4>}	122.6010	0.000	1	122.0775	0.548	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<9>,1|C<4>,1|H<1>}	122.7780	0.000	1	122.7780	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Eu<12>,1|C<4>}	122.0080	0.000	1	122.0080	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.8290	0.000	1	120.8290	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	121.3928	0.898	5	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.4500	0.618	8	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.4170	0.837	48	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	120.6785	0.725	2	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	120.1200	0.540	2	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.5570	0.843	4	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<4>,1|H<1>}	123.6220	0.579	3	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.6700	0.000	1	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|C<4>}	122.0090	0.000	1	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	122.0398	0.346	12	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.8957	0.403	4	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.2107	0.949	50	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	120.2575	0.224	2	120.2962	1.725	142	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.1580	0.163	2	119.1580	0.026	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	121.4350	0.000	1	121.4350	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Gd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Gd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Gd<15>,1|C<4>}	122.2955	0.671	2	122.2955	0.450	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hf)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hf)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hf<10>,1|C<4>,1|H<1>}	121.5390	0.000	1	121.5390	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	122.6130	1.212	2	122.2853	0.705	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	121.9575	0.466	2	122.2853	0.705	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	120.6920	0.000	1	119.7318	1.448	36	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	120.5416	0.958	7	119.7318	1.448	36	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.7439	0.982	20	119.7318	1.448	36	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.5190	0.662	2	119.7318	1.448	36	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.0396	0.776	5	119.7318	1.448	36	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	121.7470	0.000	1	119.7318	1.448	36	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ir<6>,1|C<3>}	121.4520	0.689	2	121.4520	0.474	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	122.2035	0.354	2	122.2035	0.126	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	120.7320	0.750	13	120.9540	0.696	17	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	120.6190	0.000	1	120.9540	0.696	17	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<7>,1|C<3>,1|H<1>}	122.3290	0.000	1	120.9540	0.696	17	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	121.8770	0.164	2	120.9540	0.696	17	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	121.4650	0.000	1	121.4650	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.6442	0.977	15	120.6234	0.998	18	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	121.7800	0.000	1	120.6234	0.998	18	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.8890	1.085	2	120.6234	0.998	18	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|Mn<9>,1|C<3>}	122.7410	0.000	1	122.2570	0.469	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|N<3>,1|N<4>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|Mn<4>,1|Mn<9>,1|C<4>}	121.7730	0.000	1	122.2570	0.469	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){2|Mn<6>,1|C<3>}	121.9620	0.000	1	121.5845	0.285	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Mn<6>,1|C<3>}	121.2070	0.000	1	121.5845	0.285	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	118.2043	0.361	3	118.7432	2.001	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.1200	0.000	1	118.7432	2.001	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	119.0495	0.664	2	118.7432	2.001	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	117.9523	0.694	3	118.7432	2.001	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<12>,1|C<4>,1|H<1>}	122.5753	1.683	3	122.5753	2.831	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.1482	0.711	5	121.6393	1.958	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.0950	0.000	1	121.6393	1.958	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|As<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.2750	0.383	2	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.2664	1.141	5	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.1562	1.127	4	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.0843	0.909	33	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	121.3945	0.377	2	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<4>,1|H<1>}	124.0600	0.000	1	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.6443	0.634	3	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.7380	0.000	1	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|C<4>}	122.2320	0.000	1	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.3130	0.000	1	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.7520	0.000	1	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.4584	0.307	5	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.5107	0.811	15	120.6494	1.197	74	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ni<6>,1|C<3>}	121.9592	0.832	4	121.9592	0.693	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<4>,1|C<3>,1|H<1>}	120.2960	0.000	1	121.3813	1.102	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	122.3910	0.000	1	121.3813	1.102	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<4>,1|H<1>}	121.4570	0.000	1	121.3813	1.102	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.0730	0.375	2	121.0730	0.140	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.7190	0.000	1	121.2350	0.176	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9930	0.031	2	121.2350	0.176	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.2223	0.711	45	121.2553	0.547	58	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	121.2890	0.950	2	121.2553	0.547	58	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.0910	0.228	2	121.2553	0.547	58	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.8830	0.740	5	121.2553	0.547	58	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9480	0.396	2	121.2553	0.547	58	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.8650	0.068	2	121.2553	0.547	58	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|N<2>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Pd<4>,1|C<3>}	121.0028	0.816	5	121.0028	0.666	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pr)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Pr)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Pr<12>,1|C<4>}	121.3160	0.000	1	121.3160	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	121.5663	1.080	20	121.5663	1.167	20	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.1185	1.090	6	120.6687	1.155	22	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.3394	0.924	8	120.6687	1.155	22	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.4106	0.956	8	120.6687	1.155	22	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.7404	0.719	9	119.7404	0.516	9	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	121.4060	0.000	1	121.0265	2.739	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	119.7597	0.800	4	121.0265	2.739	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	122.9165	0.275	4	121.0265	2.739	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.5900	0.519	2	121.0265	2.739	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Rh<5>,1|C<4>}	123.7330	0.000	1	123.7330	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.6310	0.544	3	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.1360	0.103	2	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.1782	0.705	6	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.1322	0.623	4	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	116.7957	1.290	4	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.3465	0.646	2	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.6950	0.000	1	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<4>,1|H<1>}	120.8820	0.000	1	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	119.1885	0.467	2	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.1830	0.000	2	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.5310	0.000	1	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.9678	0.651	5	119.1615	3.840	33	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<9>,1|C<4>,1|H<1>}	122.9140	0.000	1	122.9140	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Sm<12>,1|C<4>}	120.3710	0.000	1	120.3710	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	121.2745	0.353	2	123.5092	3.021	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<4>,1|H<1>}	124.6265	0.011	4	123.5092	3.021	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Sn<5>,1|C<3>}	123.4550	0.000	1	123.4550	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<5>,1|C<3>,1|H<1>}	121.5050	0.071	2	122.5560	0.690	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<8>,1|C<4>,1|H<1>}	123.0815	0.211	4	122.5560	0.690	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<9>,1|C<4>,1|H<1>}	122.2030	0.000	1	122.2030	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.1580	0.666	6	120.1580	0.444	6	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.0707	0.617	3	121.1413	1.217	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.2350	0.573	3	121.1413	1.217	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.2762	0.529	20	121.1413	1.217	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.1514	0.390	23	121.1413	1.217	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>}	123.9090	0.000	1	123.9090	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|N<3>,2|F<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|B<4>,4|C<3>}	119.2160	0.000	1	119.2160	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	121.0145	1.142	2	120.2638	0.467	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	119.8440	0.352	2	120.2638	0.467	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	120.2455	0.525	2	120.2638	0.467	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	119.7650	0.420	3	120.2638	0.467	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	120.7680	0.000	1	120.2638	0.467	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	120.6310	0.000	1	120.2638	0.467	11	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	119.9580	0.000	1	119.9580	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Cr<6>,1|C<3>,1|C<4>}	120.7270	0.000	1	121.9200	0.825	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){2|C<3>}	122.9920	0.000	1	121.9200	0.825	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|H<1>,2|C<3>}	121.9603	0.601	3	121.9200	0.825	5	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	116.6510	0.218	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.6575	0.336	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	115.9027	1.047	4	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.8320	1.058	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.6667	0.473	6	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.3045	0.631	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.2170	0.629	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.2915	0.762	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|W<6>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	117.0135	1.224	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.0950	1.056	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	117.0125	0.663	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<2>,2|C<3>}	117.3605	0.141	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.8720	0.178	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.5405	0.067	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	117.3680	0.440	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.2880	0.902	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.8685	0.309	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.2310	0.513	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.9245	0.947	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.8980	0.746	6	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	117.5170	0.000	1	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.9393	0.580	4	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	116.9493	0.161	4	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	116.6900	0.120	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.5040	0.963	4	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.6410	0.010	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.7597	1.049	8	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.3960	1.294	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	117.9500	0.136	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	116.1462	0.726	6	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	116.6515	0.172	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.4800	1.912	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Te<2>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.6600	0.000	1	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Zn<2>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.1523	0.784	4	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.9580	1.079	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	117.1150	1.807	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<2>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.9265	0.428	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<3>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.0650	0.190	2	116.5305	0.687	102	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ge<3>,1|C<3>}	117.8450	0.000	1	117.8450	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ag<2>,1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.3965	0.462	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.7630	0.000	1	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.7060	0.061	4	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.9150	0.139	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.5098	0.333	6	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.3728	0.526	18	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.7910	0.457	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	116.7164	1.080	10	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.0660	0.821	4	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	119.4690	0.657	3	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.0754	0.511	12	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	116.7577	0.573	10	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.3295	1.486	4	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.9580	0.235	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	118.4790	0.838	4	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.7685	0.349	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.3145	1.207	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	116.4375	0.878	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.9135	0.446	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	120.6310	0.000	1	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	121.3110	0.553	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	117.3250	0.770	4	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.1950	0.874	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	120.7570	0.000	1	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	116.6353	1.113	6	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.1010	0.359	6	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Te<2>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.6065	0.784	2	117.4330	1.180	116	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	115.8785	0.237	2	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	116.5305	0.385	2	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	115.6290	0.288	2	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	115.9040	0.904	4	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,1|C<3>,1|C<4>}	115.1685	1.525	2	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<2>,2|C<3>}	116.3130	0.348	4	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	115.9313	0.530	6	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|I<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	115.5750	0.000	1	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	115.5015	1.020	2	115.8979	0.459	25	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	114.3060	0.955	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.1617	0.441	4	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.7763	0.720	6	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.2060	1.202	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	116.0115	0.425	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	114.6800	0.994	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|C<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	113.5300	0.247	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.3225	1.913	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	114.4885	0.843	6	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	115.3985	0.404	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<4>,2|C<3>}	117.1530	0.554	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<4>,1|C<3>,1|C<4>}	120.1020	0.000	1	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<4>,2|C<3>}	116.7400	0.257	4	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.9160	1.305	4	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	115.2230	0.194	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.5913	0.522	4	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.2540	0.076	2	115.4999	1.546	49	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|P<3>,2|H<1>}	120.3490	0.000	1	120.3490	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3){1|C<4>,2|O<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	122.4220	0.000	1	122.4220	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	120.4060	0.082	2	120.4060	0.007	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.8020	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.4670	0.263	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	120.0010	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	122.1220	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|P<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	122.0430	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	120.5200	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|F<1>,1|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.5370	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.6027	0.395	3	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	120.9317	0.265	3	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	120.5765	0.098	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,2|P<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.9190	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<2>,2|C<3>}	121.1100	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	117.8367	0.145	3	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	118.2030	0.168	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	118.0935	0.426	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<3>,2|C<3>}	118.9225	0.859	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<1>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	119.5690	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	120.4400	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|P<3>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.0390	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	117.6045	0.221	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	117.7920	0.733	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.1630	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	122.0275	0.303	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	122.0830	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.0660	0.195	2	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){3|C<3>,3|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.0400	0.000	1	120.2197	2.626	41	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<5>,2|C<3>}	115.2340	1.017	2	115.2340	1.034	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	115.4137	0.397	3	115.4137	0.158	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.4029	0.908	8	116.4029	0.824	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.0770	0.117	2	115.6977	0.518	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.3185	0.019	2	115.6977	0.518	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.4994	0.467	8	115.4994	0.218	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.5975	0.390	4	116.0288	0.559	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.0080	1.052	2	116.0288	0.559	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.9120	0.212	2	116.0288	0.559	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	114.5400	1.048	3	114.5400	1.098	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	114.8000	0.000	1	115.3205	0.542	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	115.8410	0.000	1	115.3205	0.542	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	115.0285	0.121	2	115.0285	0.015	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|Cu<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	116.0950	0.540	2	115.9182	0.287	10	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	115.7710	0.429	2	115.9182	0.287	10	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|N<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	115.9083	0.633	6	115.9182	0.287	10	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|In<4>,1|C<3>,1|C<4>}	115.5015	0.842	2	115.5015	0.709	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]N[5a,6]Ir)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](N[6]N[5a,6]Ir)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	117.5950	0.000	1	117.5950	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	115.6252	0.697	4	115.6252	0.485	4	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	116.4617	1.199	10	116.1343	1.317	14	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	115.5350	0.030	2	116.1343	1.317	14	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	115.0965	0.493	2	116.1343	1.317	14	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	114.2560	1.038	2	114.9688	0.950	16	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	114.9355	0.780	4	114.9688	0.950	16	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	115.0395	1.356	4	114.9688	0.950	16	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>,3|F<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	114.8040	0.567	4	114.9688	0.950	16	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	115.9360	1.360	2	114.9688	0.950	16	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	115.5090	0.058	2	115.5090	0.003	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	117.2120	0.000	1	117.3430	0.034	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	117.4740	0.000	1	117.3430	0.034	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,6|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<9>,2|C<3>}	115.1703	0.245	4	115.4181	0.299	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,6|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<8>,2|C<3>}	115.6660	0.688	4	115.4181	0.299	8	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H)	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H){1|Nb<5>,2|C<3>}	115.8060	0.850	2	115.8060	0.722	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Nb<4>,1|C<3>,1|C<4>}	112.4870	0.000	1	112.4870	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|O<2>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	120.4190	0.000	1	120.4190	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	117.1340	1.346	2	119.8651	4.095	7	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.1390	0.000	1	119.8651	4.095	7	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	119.7600	0.000	1	119.8651	4.095	7	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.3190	0.240	2	119.8651	4.095	7	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	121.2510	0.000	1	119.8651	4.095	7	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	115.4483	1.479	3	115.4483	2.189	3	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	116.5700	0.279	2	116.5700	0.078	2	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	120.4260	0.000	1	120.4260	0.000	1	119.8274	5.153	1850	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|C<4>}	121.6695	0.639	2	121.6695	0.408	2	121.6695	0.408	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	O[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](O[6]Ga[5,6,6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](O[6]Ga[5,6,6]Li)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<3>,2|N<3>}	C(C[6]C[6]O[6])(H)3	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Ga<6>,1|Li<6>,1|C<4>}	121.5155	0.272	2	121.5155	0.074	2	121.5155	0.074	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:1:	P[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](P[6]C[6]Mn)(C[6]C[6]H)(CH3)	C(C[6]C[6]P[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H)	C[6](P[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]P[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H){1|Mn<5>,1|H<1>,3|C<3>}	118.1655	0.667	2	118.1655	0.445	2	118.1655	0.445	2	120.8466	4.616	6521	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a]){1|H<1>,2|C<4>}	115.3460	0.000	1	115.3460	0.000	1	115.5795	0.109	2	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN){1|H<1>,2|C<4>}	115.8130	0.000	1	115.8130	0.000	1	115.5795	0.109	2	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-2:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(HO){1|Ru<6>,2|C<3>}	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){2|H<1>,5|C<3>}	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC)	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH){1|H<1>,3|C<4>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC){1|H<1>,3|C<4>}	116.2200	0.000	1	116.2200	0.000	1	116.2200	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	123.0870	0.000	1	123.0870	0.000	1	123.0870	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd){1|C<3>,2|H<1>}	121.1580	0.188	3	121.1580	0.035	3	121.2222	0.026	5	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(SZn){1|C<3>,2|H<1>}	121.3185	0.063	2	121.3185	0.004	2	121.2222	0.026	5	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-2:	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	120.4330	0.000	1	120.4330	0.000	1	120.4330	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	122.2830	0.000	1	122.2830	0.000	1	121.5067	2.013	15	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	118.7720	0.000	1	118.7720	0.000	1	121.5067	2.013	15	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	122.2952	0.415	10	122.2952	0.172	10	121.5067	2.013	15	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	119.7605	0.551	2	119.5310	0.310	3	121.5067	2.013	15	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|H<1>,2|C<3>}	119.0720	0.000	1	119.5310	0.310	3	121.5067	2.013	15	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(NN){1|C<2>,1|C<3>,1|C<4>}	119.6575	0.477	10	119.6575	0.227	10	119.9294	0.436	14	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NC){1|C<3>,2|H<1>}	120.4460	0.745	2	120.4460	0.555	2	119.9294	0.436	14	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NV)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NV){1|C<3>,2|H<1>}	120.7720	0.610	2	120.7720	0.372	2	119.9294	0.436	14	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	123.3530	0.000	1	123.3530	0.000	1	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	122.8610	0.000	1	122.8610	0.000	1	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|P<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<3>,2|H<1>}	122.5075	1.452	2	122.5075	2.107	2	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OP[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OP[6]){1|C<3>,1|H<1>}	122.1480	0.000	1	122.1480	0.000	1	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	121.9420	0.000	1	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	120.9490	0.000	1	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	121.9194	0.920	23	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	122.2450	0.180	3	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	120.3840	0.910	3	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	120.2200	0.000	1	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	119.4550	0.000	1	121.6545	1.104	33	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	122.2400	0.000	1	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	122.6600	1.205	2	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	122.2474	1.264	24	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	122.9237	0.585	3	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	123.1233	1.260	3	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	123.2750	0.000	1	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	123.0540	0.000	1	122.4562	1.361	35	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OZn)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OZn){1|N<3>,2|H<1>}	119.3220	0.000	1	119.3220	0.000	1	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	123.2440	0.000	1	123.4415	0.078	2	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,2|C<3>}	123.6390	0.000	1	123.4415	0.078	2	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OC){1|C<3>,1|C<4>,1|O<1>}	125.0180	0.000	1	125.0180	0.000	1	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	119.8885	0.770	2	119.9180	0.299	3	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	119.9770	0.000	1	119.9180	0.299	3	122.0615	1.669	80	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC)	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC){1|O<1>,1|S<2>,2|C<4>}	123.2600	0.000	1	123.2600	0.000	1	123.9832	1.087	17	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<3>}	124.3454	0.655	14	124.3454	0.428	14	123.9832	1.087	17	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(SC)	C[6](C[6]C[6]S)2(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(SC){1|Ni<5>,1|C<3>,1|S<2>}	121.8100	0.156	2	121.8100	0.024	2	123.9832	1.087	17	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	118.5977	0.144	3	118.5977	0.021	3	118.5977	0.021	3	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu){1|C<3>,1|H<1>}	119.7818	0.699	9	119.7818	0.489	9	119.9788	0.810	17	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn){1|C<3>,1|H<1>}	120.1273	1.640	4	120.1273	2.690	4	119.9788	0.810	17	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn){1|C<3>,1|H<1>}	120.2735	0.253	4	120.2735	0.064	4	119.9788	0.810	17	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3){1|Os<7>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9880	0.000	1	121.9880	0.000	1	121.9880	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	117.9730	0.000	1	117.9730	0.000	1	117.9730	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	118.8120	0.000	1	118.8120	0.000	1	119.6983	2.718	4	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6])	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	121.0655	0.462	2	121.0655	0.213	2	119.6983	2.718	4	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<3>}	117.8500	0.000	1	117.8500	0.000	1	119.6983	2.718	4	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(OPd)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(OPd){1|H<1>,1|N<3>,1|O<1>}	119.7695	0.033	2	119.7695	0.001	2	119.7695	0.001	2	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH)	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN){1|B<4>,1|C<4>,2|C<3>}	120.0930	0.000	1	120.0930	0.000	1	119.3500	0.455	3	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<4>}	118.9785	0.286	2	118.9785	0.082	2	119.3500	0.455	3	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	120.5963	0.430	3	120.5963	0.185	3	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	121.6580	0.000	1	121.6580	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	122.7680	0.000	1	122.7680	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr){1|C<3>,1|C<4>,1|H<1>}	120.4160	0.000	1	120.4160	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	121.1445	0.542	2	121.1445	0.294	2	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb){1|C<3>,1|C<4>,1|H<1>}	119.1980	0.000	1	119.1980	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh){1|C<3>,1|C<4>,1|H<1>}	120.1557	0.207	4	120.1557	0.043	4	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	121.1520	0.223	2	120.6210	0.726	4	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	120.0900	1.000	2	120.6210	0.726	4	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	120.9935	1.025	2	120.9935	1.050	2	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	121.9310	0.000	1	121.9310	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo){1|C<3>,1|C<4>,1|H<1>}	121.5220	0.000	1	121.5220	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu){1|C<3>,1|C<4>,1|H<1>}	121.3200	0.000	1	121.3200	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	121.3070	0.785	3	121.3070	0.617	3	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	122.7913	1.161	10	122.7116	1.161	12	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	122.3130	0.515	2	122.7116	1.161	12	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	122.5300	0.000	1	122.5300	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,1|H<1>,1|O<1>}	123.5850	0.000	1	123.5850	0.000	1	121.5528	1.656	39	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<3>}	119.7790	0.000	1	119.7790	0.000	1	119.7790	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OH)	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]S)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:S-2:	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC){1|Se<2>,1|C<4>,3|C<3>}	124.4580	0.000	1	124.4580	0.000	1	124.4580	0.000	1	121.4859	3.130	213	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	121.7570	0.000	1	121.7570	0.000	1	121.7570	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	121.1150	0.000	1	121.1150	0.000	1	121.1150	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	122.1450	0.000	1	122.1450	0.000	1	121.3027	0.961	3	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO){1|C<4>,2|C<3>}	120.2270	0.000	1	120.2270	0.000	1	121.3027	0.961	3	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO){1|H<1>,2|C<3>}	121.5360	0.000	1	121.5360	0.000	1	121.3027	0.961	3	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3){1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	123.2020	0.000	1	123.2020	0.000	1	123.2020	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	120.8060	0.000	1	120.4180	0.301	2	120.4180	0.301	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){3|H<1>,4|C<3>}	120.0300	0.000	1	120.4180	0.301	2	120.4180	0.301	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3){1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|Cl<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	123.9660	0.000	1	123.9660	0.000	1	123.9660	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	N[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd2)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(F)3	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd2){1|C<3>,2|H<1>}	121.7340	0.000	1	121.7340	0.000	1	121.7340	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	117.9950	0.327	2	117.9950	0.107	2	117.9950	0.107	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C){1|N<2>,2|C<3>,2|H<1>}	123.3365	0.138	2	123.3365	0.019	2	123.3365	0.019	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|O<1>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	124.1600	0.566	2	124.1600	0.320	2	124.1600	0.320	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<2>,2|H<1>}	123.1950	0.000	1	123.1950	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	118.2425	0.063	2	118.2425	0.004	2	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH){1|Sm<12>,1|C<3>,1|H<1>}	119.9650	0.000	1	119.9650	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	122.0580	0.000	1	122.0580	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	117.2100	0.000	1	117.2100	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	120.0210	0.000	1	120.0210	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	120.9620	0.000	1	120.6660	0.175	2	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	120.3700	0.000	1	120.6660	0.175	2	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.7830	0.000	1	121.7830	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	117.4850	0.000	1	117.4850	0.000	1	119.9576	3.896	11	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3){1|O<1>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	124.7452	0.510	4	124.7452	0.260	4	122.8577	6.968	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	119.2030	0.076	2	119.2030	0.006	2	122.8577	6.968	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	122.6170	0.000	1	122.6170	0.000	1	122.8577	6.968	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	120.4560	0.000	1	120.4560	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	120.5030	0.000	1	120.5030	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	121.3990	0.000	1	121.3990	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	123.2050	0.000	1	123.2050	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	123.2640	0.000	1	123.2640	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NC[6a]Fe)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NC[6a]Fe){1|C<3>,2|H<1>}	121.8355	0.210	2	121.8355	0.044	2	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NTiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NTiC){1|C<3>,2|H<1>}	119.5960	0.000	1	119.5960	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	121.6245	0.725	2	121.6245	0.525	2	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	120.8600	0.200	3	121.1630	0.132	6	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	121.5070	0.140	2	121.1630	0.132	6	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	121.3840	0.000	1	121.1630	0.132	6	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|N<3>}	127.8980	0.000	1	126.8092	0.647	31	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|N<3>,2|H<1>}	126.7729	0.792	30	126.8092	0.647	31	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	124.3015	0.112	2	124.3015	0.013	2	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NCH){1|N<3>,2|H<1>}	122.5182	0.942	4	122.5182	0.888	4	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	121.6310	0.000	1	121.6310	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	122.9850	0.000	1	122.9850	0.000	1	124.6672	7.040	55	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	124.8460	0.000	1	124.8460	0.000	1	124.8460	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	117.1005	0.110	2	117.1005	0.012	2	117.1005	0.012	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	121.6620	0.000	1	121.6620	0.000	1	121.8435	0.066	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	122.0250	0.000	1	122.0250	0.000	1	121.8435	0.066	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C){3|C<3>,3|H<1>}	125.4795	0.610	2	125.4795	0.372	2	125.4795	0.372	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	119.3978	0.493	21	119.3978	0.243	21	119.3978	0.243	21	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	123.4640	0.000	1	123.4640	0.000	1	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3){1|C<4>,6|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	120.2710	0.000	1	120.2710	0.000	1	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	123.7500	0.000	1	123.7500	0.000	1	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3){1|Cu<4>,1|H<1>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|P<3>,2|H<1>,4|C<3>}	120.0558	1.095	4	120.0558	1.200	4	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.2580	0.000	1	124.2580	0.000	1	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.1105	0.468	4	122.3595	0.217	17	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	123.3530	0.382	2	122.3595	0.217	17	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.2694	0.189	11	122.3595	0.217	17	122.0831	1.563	25	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	120.1650	0.404	2	120.1650	0.164	2	123.2981	3.141	10	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C){1|F<1>,2|H<1>,3|C<3>}	125.6660	0.000	1	124.8445	1.350	2	123.2981	3.141	10	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C){3|C<3>,3|H<1>}	124.0230	0.000	1	124.8445	1.350	2	123.2981	3.141	10	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]C){3|C<3>,3|H<1>}	123.6797	0.278	4	123.6797	0.077	4	123.2981	3.141	10	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Re<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]C){3|C<3>,3|H<1>}	123.8340	0.000	1	123.8340	0.000	1	123.2981	3.141	10	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]C){3|C<3>,3|H<1>}	124.4090	0.000	1	124.4090	0.000	1	123.2981	3.141	10	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3){1|Cu<4>,1|H<1>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	118.3155	0.957	4	118.3155	0.915	4	118.3155	0.915	4	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	120.7580	0.000	1	120.7580	0.000	1	120.7580	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN){1|C<3>,2|H<1>}	121.6035	0.705	4	121.6035	0.497	4	121.5410	0.601	6	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	121.4160	1.212	2	121.4160	1.469	2	121.5410	0.601	6	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	120.0935	0.120	2	120.0935	0.014	2	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	121.5210	0.096	3	121.5210	0.009	3	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	121.2765	0.268	2	121.2765	0.072	2	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH){1|C<3>,2|H<1>}	120.1270	1.215	2	120.1270	1.476	2	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(NTiH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Li)(C[6]C[6]C)(NTiH){1|C<3>,2|H<1>}	120.8765	0.749	2	120.8765	0.561	2	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	120.1550	0.000	1	120.1550	0.000	1	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN){1|C<3>,2|H<1>}	122.5100	0.000	1	122.5100	0.000	1	120.9212	0.768	13	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	124.8980	0.000	1	124.7100	0.089	3	125.0054	0.314	5	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<7>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	124.6160	0.352	2	124.7100	0.089	3	125.0054	0.314	5	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Pd<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	125.4485	0.651	2	125.4485	0.424	2	125.0054	0.314	5	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3){1|C<4>,6|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	120.0910	0.000	1	120.0910	0.000	1	119.4538	0.270	5	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3){1|Cu<4>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	119.2945	0.437	4	119.2945	0.191	4	119.4538	0.270	5	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	C(C[6]C[6]N[6])(F)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(F)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	126.5162	1.496	4	126.5162	2.239	4	126.5162	2.239	4	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	123.0520	0.000	1	123.0520	0.000	1	123.0520	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO){1|C<3>,1|C<4>}	122.0520	0.000	1	122.0520	0.000	1	125.2754	4.483	8	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]S)(COO){1|C<3>,1|C<4>}	122.6050	0.000	1	122.6050	0.000	1	125.2754	4.483	8	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	127.1307	0.182	3	127.1307	0.033	3	125.2754	4.483	8	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	124.6290	0.061	2	125.3847	1.715	3	125.2754	4.483	8	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	126.8960	0.000	1	125.3847	1.715	3	125.2754	4.483	8	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	122.6920	0.577	2	122.6920	0.333	2	123.5387	2.317	3	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|S<4>,2|H<1>,3|C<3>}	125.2320	0.000	1	125.2320	0.000	1	123.5387	2.317	3	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	124.7900	0.000	1	124.7900	0.000	1	124.7900	0.000	1	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO){1|C<4>,2|C<3>}	120.7600	0.000	1	120.7600	0.000	1	122.0876	1.155	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	122.6120	0.000	1	122.6120	0.000	1	122.0876	1.155	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	123.0003	0.223	3	123.0003	0.050	3	122.0876	1.155	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(CHN)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(CHN){1|B<4>,2|C<3>}	121.1200	0.649	2	121.1200	0.421	2	122.0876	1.155	7	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<4>,1|C<5>}	119.9310	0.000	1	120.1130	0.066	2	120.1130	0.066	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<5>,1|H<1>}	120.2950	0.000	1	120.1130	0.066	2	120.1130	0.066	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	123.8700	0.812	2	123.8700	0.659	2	123.8700	0.659	2	122.4778	7.634	217	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|P<2>,1|S<1>,2|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3){1|C<3>,1|P<4>}	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.2370	0.000	1	124.2370	0.000	1	124.2370	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	121.8130	0.000	1	121.8130	0.000	1	123.3320	4.615	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	124.8510	0.000	1	124.8510	0.000	1	123.3320	4.615	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	122.8880	0.000	1	122.8880	0.000	1	122.8880	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3){1|C<4>,2|C<3>}	120.2830	0.000	1	120.2830	0.000	1	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cd<8>,2|C<3>}	121.0560	0.483	4	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Co<6>,2|C<3>}	121.1672	0.508	4	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<10>,2|C<3>}	119.9750	0.000	1	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<6>,2|C<3>}	121.2370	0.205	2	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<4>,2|C<3>}	120.4460	0.582	6	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<6>,2|C<3>}	122.0670	0.331	2	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Fe<6>,2|C<3>}	120.7909	1.206	8	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Mn<6>,2|C<3>}	120.3557	0.993	12	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Ni<6>,2|C<3>}	120.8245	1.134	51	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Re<6>,2|C<3>}	121.3818	0.271	6	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Zn<6>,2|C<3>}	121.3325	2.164	2	120.8342	1.076	98	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3){1|Cu<4>,4|C<3>}	121.1737	0.339	4	121.1737	0.115	4	120.8421	1.034	103	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3){2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	118.9520	0.509	2	119.6983	0.843	4	119.6983	0.843	4	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	120.4445	0.209	2	119.6983	0.843	4	119.6983	0.843	4	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	120.3540	0.007	2	120.3540	0.000	2	120.6364	3.123	10	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	123.8300	0.882	2	123.8300	0.779	2	120.6364	3.123	10	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	119.5330	0.103	2	119.5330	0.011	2	120.6364	3.123	10	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(CF3){1|C<3>,2|C<4>}	119.6365	0.375	2	119.7325	0.352	4	120.6364	3.123	10	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(CF3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	119.8285	0.937	2	119.7325	0.352	4	120.6364	3.123	10	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3){1|C<3>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|P<2>,1|S<1>,2|C<3>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	123.5230	0.000	1	123.5230	0.000	1	123.8090	0.164	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	124.0950	0.000	1	124.0950	0.000	1	123.8090	0.164	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	122.9660	0.000	1	122.9660	0.000	1	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cd<8>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.7185	1.114	4	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Co<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	122.2673	0.754	4	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<10>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.4150	0.000	1	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.6905	0.168	2	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.3873	0.599	6	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.1850	0.361	2	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Fe<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.3012	1.591	8	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Mn<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.4174	0.573	12	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Ni<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.0336	1.059	52	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Re<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.0173	0.317	6	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Zn<6>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	122.0340	2.158	2	123.1997	1.133	99	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3){1|Cu<4>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	121.4852	0.341	4	121.4852	0.116	4	123.1315	1.191	104	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	118.7055	1.241	2	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	118.2192	0.974	5	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	118.4525	0.228	2	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	117.5125	0.826	4	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	119.4175	0.115	2	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	118.5945	0.012	2	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	118.4475	0.622	2	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	118.3786	0.710	29	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	118.4948	0.658	36	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	118.3125	0.177	2	118.4162	0.507	86	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	123.1250	0.000	1	123.1250	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	121.6200	0.262	2	121.6200	0.068	2	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	117.6240	0.000	1	117.6240	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	118.7540	0.000	1	118.7540	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	121.1460	0.000	1	121.1460	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	122.2320	0.076	2	122.2320	0.006	2	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	121.4880	0.000	1	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.2490	0.163	2	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	120.8272	0.419	23	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Co<5>,1|C<3>,1|H<1>}	121.8543	1.129	4	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	121.3980	0.000	1	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	121.1180	0.000	1	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	120.3540	0.000	1	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Ti<6>,1|C<3>,1|H<1>}	121.5900	0.000	1	121.0261	0.382	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>}	119.0940	0.440	2	119.6193	0.925	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>,1|W<6>}	119.9333	0.253	3	119.6193	0.925	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Mn<5>,1|C<3>,1|H<1>}	119.1255	0.011	2	119.6193	0.925	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Sm<12>,1|C<3>,1|H<1>}	119.0190	0.000	1	119.6193	0.925	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Tm<12>,1|C<3>,1|H<1>}	119.4005	2.263	2	119.6193	0.925	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Yb<12>,1|C<3>,1|H<1>}	120.6860	0.816	2	119.6193	0.925	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	124.9220	0.000	1	124.9220	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	121.8750	0.000	1	121.8750	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	127.1420	0.000	1	127.1420	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	124.8600	0.000	1	124.8600	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	128.0750	0.000	1	128.0750	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	125.9890	0.000	1	125.9890	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	127.0540	0.000	1	127.0540	0.000	1	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	124.6515	0.813	6	124.6501	0.488	8	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	124.6460	0.330	2	124.6501	0.488	8	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	121.0415	0.863	2	121.0415	0.745	2	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	122.4590	0.554	2	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	122.4250	0.000	1	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	122.0029	0.642	23	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	122.1282	0.306	4	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	121.9430	0.000	1	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	121.7870	0.000	1	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	121.4770	0.000	1	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Ti<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	122.2280	0.000	1	122.0399	0.323	34	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>,1|W<6>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	119.1103	0.120	3	119.1571	0.461	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	119.8620	0.085	2	119.1571	0.461	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	119.3250	0.031	2	119.1571	0.461	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Sm<12>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	119.2110	0.000	1	119.1571	0.461	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Tm<12>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	118.6020	1.769	2	119.1571	0.461	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Yb<12>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	118.8825	0.276	2	119.1571	0.461	12	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	120.3440	0.707	2	120.3440	0.500	2	120.2060	4.603	206	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(PSiNU)	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(PSiNU){1|C<3>,1|H<1>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.3860	0.000	1	121.3860	0.000	1	121.5726	2.430	22	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.4560	0.240	2	120.6882	0.567	15	121.5726	2.430	22	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	120.5701	0.737	13	120.6882	0.567	15	121.5726	2.430	22	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	123.8147	0.482	6	123.8147	0.233	6	121.5726	2.430	22	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3){1|Ru<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	120.9575	0.606	2	120.9575	0.367	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	120.5945	1.182	2	120.5945	1.396	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<3>,2|H<1>}	120.5005	0.073	2	120.5005	0.005	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Rh<8>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	118.3010	0.000	1	118.3010	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	119.7845	1.197	2	119.7845	1.433	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	121.2910	0.000	1	121.2910	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	121.5705	0.658	2	121.1093	0.664	24	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	121.0674	0.827	22	121.1093	0.664	24	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	122.2660	0.000	1	122.2660	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	122.0660	0.000	1	122.0660	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	121.3140	0.000	1	121.3140	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	121.2765	0.327	2	121.2765	0.107	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	122.2220	0.000	1	122.2220	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	122.3975	0.648	2	122.3975	0.420	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	123.3350	0.000	1	123.3350	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	122.7460	0.000	1	122.7460	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3){1|Os<7>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3){1|N<2>,2|C<3>}	120.2480	0.000	1	120.2480	0.000	1	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3){1|Ni<5>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	122.6595	0.210	2	122.6595	0.044	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]C)2(CH3){1|P<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	118.8540	1.310	2	118.8540	1.715	2	121.1115	1.328	49	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:P-4:	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	126.6400	0.000	1	126.6400	0.000	1	126.6400	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.9320	0.000	1	122.9320	0.000	1	123.8982	0.547	23	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	123.8335	0.218	2	123.6875	0.325	15	123.8982	0.547	23	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	123.6650	0.609	13	123.6875	0.325	15	123.8982	0.547	23	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	125.6970	0.000	1	125.6970	0.000	1	123.8982	0.547	23	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	124.2863	0.590	6	124.2863	0.348	6	123.8982	0.547	23	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	123.7103	0.567	4	123.7103	0.321	4	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.3610	0.000	1	120.3610	0.000	1	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	122.6140	0.000	1	122.6140	0.000	1	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.1768	0.788	24	123.1768	0.621	24	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	124.6974	0.585	27	124.5909	0.387	31	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	123.6960	0.000	1	124.5909	0.387	31	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	124.0300	0.000	1	124.5909	0.387	31	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	123.5000	0.000	1	124.5909	0.387	31	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	124.2630	0.000	1	124.5909	0.387	31	123.8750	1.142	61	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	126.8300	0.000	1	126.8300	0.000	1	126.8300	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5a,6]C[6])(H)3	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	127.2660	0.000	1	127.2660	0.000	1	127.2660	0.000	1	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(Br)(H)2	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	123.0450	0.806	2	123.0450	0.650	2	123.0450	0.650	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	121.2870	0.000	1	121.2870	0.000	1	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	120.6270	0.000	1	120.6270	0.000	1	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3){1|Ni<5>,2|C<3>}	122.5180	0.400	2	122.5180	0.160	2	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	120.7880	0.133	2	120.7880	0.018	2	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	121.4615	0.153	2	121.4615	0.024	2	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3){1|N<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3){1|Os<7>,3|C<3>}	119.3540	0.000	1	119.3540	0.000	1	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Rh<8>,1|H<1>,2|C<4>}	117.5640	0.000	1	117.5640	0.000	1	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(CH3)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]C)2(CH3){1|P<3>,2|C<3>}	120.7345	1.532	2	120.7345	2.348	2	120.8197	2.015	12	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	122.0640	0.000	1	122.0640	0.000	1	122.6155	0.608	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	123.1670	0.000	1	123.1670	0.000	1	122.6155	0.608	2	121.5376	4.477	613	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>}	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	121.1720	0.000	1	121.3090	0.038	2	121.3090	0.038	2	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	121.4460	0.000	1	121.3090	0.038	2	121.3090	0.038	2	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	114.3604	1.045	5	114.3604	1.092	5	114.6351	0.698	10	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	114.3660	0.000	1	114.9098	0.290	5	114.6351	0.698	10	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	115.0457	0.513	4	114.9098	0.290	5	114.6351	0.698	10	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3)	C(C[6]C[6,6a]C[6])(F)3	C[6](C[6]C[6,6a]C)(C[6]N[6]NiO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6])(F)3	C[6](C[6]C[6,6a]C)(C[6]N[6]NiO)(H){2|C<3>}	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	117.3120	0.000	1	117.3120	0.000	1	120.3750	2.494	6	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	121.4070	0.000	1	121.4070	0.000	1	120.3750	2.494	6	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	121.2945	0.418	2	121.2945	0.175	2	120.3750	2.494	6	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]NiO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]NiO)(H){2|C<3>}	120.7360	0.000	1	120.7360	0.000	1	120.3750	2.494	6	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]O[6]CC)(H){2|C<3>}	120.2060	0.000	1	120.2060	0.000	1	120.3750	2.494	6	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:1:	N[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]N[6,6a]C[6])(H)3	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	C(C[6]N[6,6a]C[6])(H)3	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H){2|C<3>}	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	117.8113	10.915	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC){1|C<3>,1|O<1>,1|O<2>}	124.5210	0.488	4	124.5210	0.238	4	124.5210	0.238	4	124.2720	0.489	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:P-4:P[6]-2:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(PC[6a]2B)(P[6]C[6])	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(PC[6a]2B)(P[6]C[6]){1|Si<4>,1|C<3>,1|H<1>}	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	124.2720	0.489	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|H<1>}	127.1685	0.378	2	127.1685	0.143	2	127.1685	0.143	2	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	123.0505	0.845	2	123.0505	0.714	2	123.0505	0.714	2	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO){1|H<1>,3|C<3>}	123.8160	0.812	2	123.8160	0.659	2	123.9718	0.260	4	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO){1|C<4>,2|C<3>}	124.1275	0.152	2	124.1275	0.023	2	123.9718	0.260	4	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO){1|C<4>,2|C<3>}	121.0600	0.000	1	121.0855	0.001	2	121.0855	0.001	2	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:S[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO){1|H<1>,2|C<3>}	121.1110	0.000	1	121.0855	0.001	2	121.0855	0.001	2	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-3:P-4:C[6]-3:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Ru)(PC[6a]2Ru)(C[6]C[6]C)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](P[6]C[6]Ru)(PC[6a]2Ru)(C[6]C[6]C){1|Si<4>,1|C<3>,1|H<1>}	121.9070	0.180	3	121.9070	0.032	3	121.9070	0.032	3	123.4013	4.088	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	3:4:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3){1|S<4>,2|C<3>}	124.5460	0.000	1	124.5460	0.000	1	124.5460	0.000	1	124.5460	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[4,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.6008	0.186	4	123.6008	0.035	4	123.6008	0.035	4	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]O)(CH3){2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(O){1|H<1>,3|C<4>}	116.6930	0.000	1	116.6930	0.000	1	116.6930	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3){3|C<4>,3|O<2>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>}	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	122.4910	0.000	1	121.9462	0.194	5	121.9462	0.194	5	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]C)(H){1|H<1>,5|C<3>}	121.8100	0.367	4	121.9462	0.194	5	121.9462	0.194	5	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6]N[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1320	0.000	1	121.1320	0.000	1	121.4953	0.088	7	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]C)(H){6|C<3>}	121.4867	0.217	3	121.4867	0.047	3	121.4953	0.088	7	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	121.4450	0.236	2	121.4450	0.056	2	121.4953	0.088	7	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){5|C<3>}	121.9850	0.000	1	121.9850	0.000	1	121.4953	0.088	7	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(Br)(H)2	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH){1|H<1>,3|C<4>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](B[6]C[6]MgN)(C[6]C[6]C)(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](B[6]C[6]MgN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5733	0.352	4	120.5733	0.124	4	120.5733	0.124	4	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3){4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.5610	0.000	1	123.5610	0.000	1	123.5610	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3){1|P<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){3|C<4>,3|H<1>}	115.1390	0.000	1	115.1390	0.000	1	116.0390	0.610	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	116.4390	0.000	1	116.4390	0.000	1	116.0390	0.610	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	116.5390	0.000	1	116.5390	0.000	1	116.0390	0.610	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3){1|O<2>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.8580	0.000	1	123.8580	0.000	1	124.0920	0.110	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.3260	0.000	1	124.3260	0.000	1	124.0920	0.110	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	115.4555	0.398	2	115.4555	0.158	2	115.3377	0.121	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O){1|H<1>,1|I<1>,2|C<3>,3|C<4>}	115.1020	0.000	1	115.1020	0.000	1	115.3377	0.121	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3){4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	123.1990	0.000	1	123.1990	0.000	1	122.8885	0.193	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|C<6>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]C)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	122.5780	0.000	1	122.5780	0.000	1	122.8885	0.193	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3){1|O<2>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	124.5710	0.000	1	124.5710	0.000	1	123.1870	2.785	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.6560	0.000	1	123.6560	0.000	1	123.1870	2.785	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	121.3340	0.000	1	121.3340	0.000	1	123.1870	2.785	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.7990	0.107	2	124.7990	0.012	2	124.7990	0.012	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3){1|O<2>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	117.0790	0.000	1	117.0790	0.000	1	117.0193	0.009	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	117.0720	0.000	1	117.0720	0.000	1	117.0193	0.009	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	116.9070	0.000	1	116.9070	0.000	1	117.0193	0.009	3	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<4>}	123.4675	0.672	2	123.4675	0.452	2	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|H<1>}	123.2370	0.000	1	123.2370	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	121.9880	0.000	1	121.9880	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|Ru<7>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]C)(H){1|C<4>,1|C<5>,1|H<1>,2|C<3>}	120.6230	0.000	1	120.6230	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H){1|S<4>,2|H<1>,3|C<3>}	121.6630	0.000	1	121.6630	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.3420	0.000	1	122.3420	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|O<1>,4|C<4>}	123.3240	0.000	1	123.3240	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	123.0560	0.000	1	123.0560	0.000	1	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	123.5975	0.042	2	123.5975	0.002	2	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.6790	0.272	2	122.6790	0.074	2	122.7478	0.843	13	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3){1|O<2>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	117.3020	0.000	1	117.3020	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	118.4790	0.356	2	118.4790	0.127	2	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	115.8690	0.000	1	115.8690	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	115.4600	0.000	1	115.4600	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.0860	0.000	1	117.0860	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	116.1470	0.000	1	116.1470	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	116.6010	0.000	1	116.6010	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>,2|O<2>}	118.0320	0.000	1	118.0320	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O){3|H<1>,4|C<3>}	115.9710	0.000	1	115.9710	0.000	1	116.9426	1.248	10	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.4130	0.000	1	124.4130	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.6110	0.000	1	122.6110	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	123.3830	0.000	1	123.3830	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|H<1>,3|C<3>}	123.2080	0.000	1	123.2080	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|N<2>,4|C<4>}	122.0690	0.000	1	122.0690	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	123.2060	0.339	2	123.2060	0.115	2	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	122.5670	0.000	1	122.5670	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.1870	0.000	1	124.1870	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.1080	0.000	1	124.1080	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	124.1748	0.849	4	124.1748	0.722	4	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H){1|N<2>,3|C<4>,4|H<1>}	124.2740	0.000	1	124.2740	0.000	1	123.5954	0.730	15	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	117.2885	0.356	2	117.2885	0.127	2	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	116.2030	0.000	1	116.2030	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	115.6420	0.000	1	115.6420	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	117.0390	0.000	1	117.0390	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	117.2290	0.000	1	117.2290	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){3|C<4>,4|H<1>}	116.7380	0.000	1	116.7380	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|O<2>,2|H<1>,4|C<4>}	117.0240	0.000	1	117.0240	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]N[6]3)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|O<1>,3|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]N[6]3)(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	117.2580	0.000	1	117.2580	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	115.7870	1.322	2	115.7870	1.748	2	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|O<2>}	120.5860	0.000	1	120.5860	0.000	1	116.9892	1.865	12	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	123.1280	0.000	1	123.1280	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	122.9680	0.000	1	122.9680	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	122.9920	0.000	1	123.4315	0.386	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	123.8710	0.000	1	123.4315	0.386	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	121.9215	0.469	2	121.9215	0.220	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	119.8380	0.000	1	119.8380	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>}	121.4745	0.035	2	121.4745	0.001	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|N<2>,3|C<4>}	121.4510	0.113	3	121.4510	0.013	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.1295	0.125	2	121.9553	0.099	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>}	121.6070	0.000	1	121.9553	0.099	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	122.8475	0.045	2	122.8475	0.002	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	123.0550	0.081	2	123.0550	0.006	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	122.7330	0.000	1	122.7330	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	124.2810	0.929	2	124.2810	0.863	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.3345	0.421	2	123.3345	0.177	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.2600	0.000	2	123.1797	0.255	12	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.4325	0.603	2	123.1797	0.255	12	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	123.1135	0.220	4	123.1797	0.255	12	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.0793	0.836	4	123.1797	0.255	12	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Rh<8>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.8920	0.000	1	122.8920	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	123.0060	0.000	1	123.0060	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.2990	0.000	1	124.2990	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){2|C<3>,2|H<1>}	122.5930	0.000	1	122.5930	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Cu<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	121.4680	0.000	1	121.4680	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Dy<15>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.4790	0.000	1	119.4790	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]FeC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Fe<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]FeC)(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|H<1>}	121.8730	0.000	1	121.8730	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]GdO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Gd<17>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]GdO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	120.8525	0.848	2	120.8525	0.719	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	122.1640	0.000	1	122.1640	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HW)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|W<10>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HW)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	122.3270	0.000	1	122.3270	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.6900	0.000	1	120.6900	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,1|H<1>,1|H<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6820	0.000	1	120.6820	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]LaC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|La<22>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]LaC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.3730	0.000	1	120.3730	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]MoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Mo<9>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]MoC)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6560	0.042	2	120.6560	0.002	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]MoH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Mo<10>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]MoH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	121.5880	0.000	1	121.5880	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6670	1.161	8	120.7208	1.157	10	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|H<2>}	120.2790	0.000	1	120.7208	1.157	10	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5930	0.000	1	120.7208	1.157	10	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NV)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|V<7>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NV)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3740	0.516	7	120.3734	0.221	11	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NV)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NV)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<4>}	120.3722	0.452	4	120.3734	0.221	11	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NW)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|W<7>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NW)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3435	0.218	2	120.3435	0.048	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<9>,1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H){1|Ru<7>,1|H<1>,1|N<4>,2|C<3>}	122.4880	0.836	2	122.4880	0.699	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.4750	0.000	1	121.7345	0.135	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<5>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	121.9940	0.000	1	121.7345	0.135	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3810	0.000	1	121.7615	0.290	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H){1|Ni<3>,1|C<3>,1|H<1>}	122.1420	0.000	1	121.7615	0.290	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OY)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	121.1800	0.000	1	121.1800	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<11>,1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PY)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.8950	0.000	1	120.8950	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	122.3030	0.000	1	121.4492	1.424	5	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.7210	0.000	1	121.4492	1.424	5	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	121.9325	0.217	2	121.4492	1.424	5	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.3570	0.000	1	121.4492	1.424	5	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.2100	0.000	1	122.2100	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.2290	1.078	2	120.2370	0.581	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.2530	0.000	1	120.2370	0.581	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ta<11>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.1187	0.568	6	120.2765	0.474	10	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ta<12>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5132	0.872	4	120.2765	0.474	10	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Th<14>,1|C<4>,1|H<1>,1|H<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ThH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	122.7130	0.000	1	122.7130	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ti<11>,1|C<4>,1|H<1>,1|H<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]TiH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.6960	0.000	1	122.6960	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<10>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.6990	0.000	1	120.6990	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrH)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	121.7370	0.000	2	121.7370	0.000	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<13>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3240	0.461	2	120.4850	0.184	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|H<2>}	120.8070	0.000	1	120.4850	0.184	3	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<16>,1|C<4>,1|C<5>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CY)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	121.0655	0.185	2	121.0655	0.034	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]IrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]IrN)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	119.7930	0.000	1	119.7930	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]NY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]NY)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	121.1220	0.000	1	121.1220	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]RhRu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Rh<8>,1|Ru<9>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]RhRu)(C[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	121.7390	0.000	1	121.7390	0.000	1	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]RuN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<10>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]RuN)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	119.9675	0.064	2	119.9675	0.004	2	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]ZrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<12>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]ZrN)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	120.9230	0.582	8	120.9230	0.338	8	121.4700	1.611	127	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	117.6320	0.000	1	117.6320	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|C<6>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O){1|C<4>,1|C<6>,2|H<1>}	117.4030	0.000	1	117.4030	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	118.2690	0.000	1	118.2690	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	116.7740	0.000	1	116.7740	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	117.6390	0.000	1	117.6390	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	116.7860	0.000	1	116.7860	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	116.1190	0.000	1	116.1190	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	117.0493	0.727	3	117.0285	0.354	4	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	116.9660	0.000	1	117.0285	0.354	4	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	116.9535	0.153	2	117.1430	0.120	3	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	117.5220	0.000	1	117.1430	0.120	3	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	117.2580	0.000	1	117.2580	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	117.1860	0.860	2	117.1860	0.739	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	114.4460	0.000	1	114.0780	0.271	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	113.7100	0.000	1	114.0780	0.271	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>}	116.9360	0.580	2	116.9360	0.336	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(O){1|S<4>,2|C<4>}	113.4760	0.000	1	113.4760	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	117.3835	0.117	2	117.3835	0.014	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	117.0405	0.176	2	117.0405	0.031	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.5310	0.000	1	117.5310	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.1050	0.287	2	117.1050	0.082	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	116.3500	0.000	1	116.3500	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	117.2460	0.000	2	117.2460	0.000	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	116.8965	0.910	2	116.8965	0.828	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	117.4310	0.441	2	117.0600	0.510	3	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	116.3180	0.000	1	117.0600	0.510	3	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	117.0015	0.262	2	117.0015	0.069	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	117.2690	1.594	2	117.3493	0.611	6	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	117.3895	0.407	4	117.3493	0.611	6	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OO)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OO)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	116.9090	0.000	1	116.9090	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	118.3950	0.247	2	118.3950	0.061	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	119.7590	0.000	1	119.7590	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	118.0320	0.351	2	118.0320	0.123	2	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	118.5860	0.000	1	118.5860	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.7180	0.000	1	118.7180	0.000	1	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	117.7128	0.213	5	118.1625	1.250	6	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	120.4110	0.000	1	118.1625	1.250	6	117.2475	1.256	59	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){4|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](S[6]N[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3){1|C<4>,1|N<3>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](S[6]N[6]OO)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.0310	0.000	1	120.0310	0.000	1	120.0310	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6]-4:C[6]-3:H-1:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:O-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	C(C[6]C[6]2)(H)2(O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	C(C[6]C[6]2)(H)2(O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	114.5400	0.000	2	114.5400	0.000	2	114.5400	0.000	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:O-1:	C[6,6]-4:C[6]-3:Br-1:	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	C(C[6]C[6]2)(H)2(O)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	C(C[6]C[6]2)(H)2(O)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	123.8370	0.000	2	123.8370	0.000	2	123.8370	0.000	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	118.7170	0.000	1	119.9461	0.826	9	120.2639	1.223	11	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.0040	0.000	1	119.9461	0.826	9	120.2639	1.223	11	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	119.6423	0.300	3	119.9461	0.826	9	120.2639	1.223	11	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	119.9668	0.365	4	119.9461	0.826	9	120.2639	1.223	11	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	121.1350	0.000	1	121.1350	0.000	1	120.2639	1.223	11	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	122.2530	0.000	1	122.2530	0.000	1	120.2639	1.223	11	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.7050	0.081	2	119.7050	0.006	2	123.4266	11.938	5	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	126.3150	0.000	1	126.3150	0.000	1	123.4266	11.938	5	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	126.5190	0.000	1	126.5190	0.000	1	123.4266	11.938	5	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|S<4>,2|H<1>}	124.8890	0.000	1	124.8890	0.000	1	123.4266	11.938	5	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[6]OO)(C[6]N[6]C)(H)	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3){2|C<3>,2|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](S[6]C[6]OO)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3){1|C<3>,1|C<4>,1|H<2>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H){1|C<3>,1|N<2>,2|H<1>}	126.2810	0.000	1	126.2810	0.000	1	126.2810	0.000	1	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Li<3>,1|C<4>,2|H<1>}	119.4830	0.000	2	119.4830	0.000	2	123.1050	2.170	23	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]RuO)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|Ru<7>,1|N<3>,1|O<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]RuO)(C[6]N[6]C)(H){1|Ru<7>,1|C<4>}	120.9330	0.000	1	120.9330	0.000	1	123.1050	2.170	23	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	123.6599	0.551	18	123.6599	0.304	18	123.1050	2.170	23	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]HH)(C[6]N[6]C)(H){3|C<3>}	121.0980	0.000	1	121.0980	0.000	1	123.1050	2.170	23	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|N<2>,4|C<3>}	124.5390	0.000	1	124.5390	0.000	1	123.1050	2.170	23	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:1:	P[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]P[6])(H)3	C[6](C[6]C[6]HH)(C[6]P[6]C)(H)	C[6](P[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]P[6])(H)3	C[6](C[6]C[6]HH)(C[6]P[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	120.1695	0.152	2	120.1695	0.023	2	120.1695	0.023	2	120.5392	7.229	331	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	126.2220	0.000	1	126.2220	0.000	1	126.2220	0.000	1	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC){1|C<4>,1|O<1>,2|H<1>}	123.2490	0.358	2	123.2490	0.128	2	123.2490	0.128	2	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO){1|H<1>,3|C<4>}	119.0530	0.000	1	119.0530	0.000	1	118.4399	0.116	8	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN){1|H<1>,3|C<4>}	118.2583	0.232	3	118.2583	0.054	3	118.4399	0.116	8	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5])	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5]){1|C<4>,3|H<1>}	118.4850	0.000	1	118.4850	0.000	1	118.4399	0.116	8	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC){1|C<3>,2|H<1>}	118.0250	0.000	1	118.0250	0.000	1	118.4399	0.116	8	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN){1|C<3>,1|C<4>,2|H<1>}	118.5905	0.115	2	118.5905	0.013	2	118.4399	0.116	8	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.4110	0.000	1	121.4110	0.000	1	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	124.2385	0.579	2	124.2385	0.335	2	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	123.0970	0.000	1	123.0970	0.000	1	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CH3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	124.9485	0.057	2	124.9485	0.003	2	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	121.7640	0.000	1	121.7640	0.000	1	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	122.8666	0.139	5	122.4918	0.858	6	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	120.6180	0.000	1	122.4918	0.858	6	123.0459	1.740	13	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	124.8440	0.154	2	124.6700	0.103	3	125.1674	0.337	14	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	124.3220	0.000	1	124.6700	0.103	3	125.1674	0.337	14	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	125.7182	0.255	6	125.3030	0.323	11	125.1674	0.337	14	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	124.8048	0.396	5	125.3030	0.323	11	125.1674	0.337	14	122.9264	7.098	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(C[6]C[5a,6]C[6])(H)3	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO){4|C<3>}	123.7090	0.000	1	123.7090	0.000	1	123.7090	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC){2|C<3>,3|C<4>}	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2)(F)3	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:N[5a]-3:C[6]-3:	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	121.9690	0.214	2	121.9690	0.046	2	121.9690	0.046	2	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH){1|H<1>,3|C<4>}	119.5700	0.000	1	119.5700	0.000	1	121.1555	12.111	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,3|C<3>}	117.0550	0.000	1	117.0550	0.000	1	121.1555	12.111	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	123.3500	0.000	1	123.3500	0.000	1	121.1555	12.111	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	124.6470	0.000	1	124.6470	0.000	1	121.1555	12.111	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>}	120.8995	0.317	2	120.8995	0.101	2	120.8995	0.101	2	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH){1|C<3>,2|H<1>}	119.9940	0.000	1	119.9940	0.000	1	121.1475	0.871	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC){1|C<3>,2|H<1>}	122.2760	0.000	1	122.2760	0.000	1	121.1475	0.871	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	121.1600	0.100	2	121.1600	0.010	2	121.1475	0.871	4	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.2040	0.000	1	122.2025	0.000	2	122.2025	0.000	2	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	122.2010	0.000	1	122.2025	0.000	2	122.2025	0.000	2	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	125.2230	0.000	1	125.2230	0.000	1	125.2230	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	124.2190	0.000	1	124.2190	0.000	1	123.4684	0.753	5	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Mn)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Mn<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Mn)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	123.1860	0.000	1	123.1860	0.000	1	123.4684	0.753	5	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Re)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Re<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Re)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	122.6510	0.000	1	122.6510	0.000	1	123.4684	0.753	5	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Rh)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Rh<8>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]2Cr)(N[6]C[6]Rh)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	123.6430	1.280	2	123.6430	1.638	2	123.4684	0.753	5	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	126.7390	0.000	1	126.7390	0.000	1	126.7390	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3){2|H<1>,3|C<4>}	C(C[6]C[6]N[6])(F)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	125.5690	0.000	1	125.5690	0.000	1	125.5690	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	126.8190	0.000	1	126.8190	0.000	1	126.8190	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	128.1560	0.000	1	128.1560	0.000	1	128.1560	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,2|C<3>}	125.5880	0.000	1	125.5880	0.000	1	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	123.4267	0.098	3	123.5360	0.054	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	123.8640	0.000	1	123.5360	0.054	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	125.6105	0.267	2	125.6105	0.071	2	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	125.8840	0.109	2	125.8840	0.012	2	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	127.6983	1.259	4	127.8303	1.252	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	128.0945	1.138	2	127.8303	1.252	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	127.1860	0.000	1	127.4082	0.433	28	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	127.5425	0.845	2	127.4082	0.433	28	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	127.1170	1.142	4	127.4082	0.433	28	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	128.2050	0.000	1	127.4082	0.433	28	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	127.4526	0.586	18	127.4082	0.433	28	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	127.1700	0.098	2	127.4082	0.433	28	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|O<2>,2|C<3>,2|H<1>}	127.0830	0.000	1	127.4593	0.743	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	127.5740	0.000	1	127.4593	0.743	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|N<2>,2|C<3>,2|H<1>}	128.7340	0.000	1	127.4593	0.743	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|S<2>,2|C<3>,2|H<1>}	128.0180	0.000	1	127.4593	0.743	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	126.6735	0.623	2	127.4593	0.743	6	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	127.8630	0.191	2	127.8252	0.191	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	127.7875	0.729	2	127.8252	0.191	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	128.1531	0.954	10	128.1531	0.910	10	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	127.9135	0.846	2	127.9135	0.716	2	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	128.2285	0.896	2	128.2285	0.803	2	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	128.0510	0.000	1	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.6260	0.000	1	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	127.1863	1.142	3	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	127.4990	0.771	132	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	128.6240	0.000	1	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	128.4720	0.000	1	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	126.9010	0.000	1	127.5008	0.607	140	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	128.5810	0.000	1	128.5840	0.104	7	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	128.5845	0.353	6	128.5840	0.104	7	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	127.3328	0.785	5	127.3328	0.616	5	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	127.8950	0.000	1	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	128.9570	0.000	1	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	128.9385	0.446	2	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	127.7254	0.607	30	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	129.1690	0.000	1	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	128.0865	0.661	24	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	128.5810	0.149	3	127.9916	0.467	62	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO){1|C<3>,2|H<1>}	128.9360	0.000	1	128.9360	0.000	1	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	128.4390	0.000	1	127.9737	0.588	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	126.8490	0.000	1	127.9737	0.588	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	128.3035	0.255	2	127.9737	0.588	4	127.5880	0.912	286	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	128.2560	0.000	1	128.2560	0.000	1	128.2560	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO){1|C<4>,4|C<3>}	126.1030	0.000	1	126.1030	0.000	1	126.0010	0.021	2	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3)	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3){1|H<1>,2|O<1>,4|C<3>}	C(C[6]N[5,6]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO){1|H<1>,1|S<4>,3|C<3>}	125.8990	0.000	1	125.8990	0.000	1	126.0010	0.021	2	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]N[6,6]C[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	124.4610	0.000	1	124.4610	0.000	1	124.4610	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(Cl)(H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3)	C(C[6]C[6]N[6])(F)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(F)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	125.2110	0.000	1	125.2110	0.000	1	125.2110	0.000	1	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	125.9985	1.012	2	125.9985	1.024	2	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	125.3645	0.008	2	125.3645	0.000	2	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	127.5110	0.000	1	127.5110	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	126.5380	0.000	1	126.5380	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	127.3620	0.000	1	127.3620	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	134.5390	0.000	1	134.5390	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	127.2860	0.000	1	127.2860	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	126.6305	0.194	2	126.6350	0.107	6	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|N<2>}	127.0560	0.000	1	126.6350	0.107	6	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	126.4977	0.362	3	126.6350	0.107	6	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	128.1273	0.511	3	128.1273	0.261	3	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	127.1682	0.508	17	127.1682	0.258	17	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	128.1080	0.238	2	128.1080	0.056	2	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	124.1510	0.000	1	124.1510	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	129.0950	0.000	1	129.0950	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	126.7245	0.019	2	126.7245	0.000	2	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	124.0800	0.066	2	124.1730	0.028	3	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	124.3590	0.000	1	124.1730	0.028	3	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	126.5950	0.000	1	126.5950	0.000	1	126.9786	2.625	45	127.1271	3.131	364	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	B[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3)	C(C[6]B[6]C[6])(H)3	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6]B[6]C[6])(H)3	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	117.5840	0.113	2	117.5840	0.013	2	117.5840	0.013	2	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6])(H)3	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	123.5770	0.000	1	123.5770	0.000	1	123.5770	0.000	1	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3x6]-4:C[6]-3:C-4:	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3)	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	124.4420	0.000	1	124.4420	0.000	1	124.4420	0.000	1	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	119.2165	0.386	4	119.2165	0.149	4	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	119.7225	0.593	2	119.7225	0.352	2	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	120.2468	1.083	6	120.1128	0.906	8	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	119.5670	0.000	1	120.1128	0.906	8	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	119.8540	0.000	1	120.1128	0.906	8	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	120.7355	0.667	4	120.7355	0.445	4	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	119.8330	0.000	1	119.4295	0.326	2	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	119.0260	0.000	1	119.4295	0.326	2	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	120.3430	0.000	1	119.9775	0.408	4	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	119.5530	0.000	1	119.9775	0.408	4	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	120.6810	0.000	1	119.9775	0.408	4	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	119.3330	0.000	1	119.9775	0.408	4	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	120.2334	0.772	14	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	119.9611	0.514	16	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	120.3445	0.626	2	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	120.3486	0.745	16	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	119.6794	0.450	14	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	120.5460	0.000	1	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<4>,1|C<3>,3|C<4>}	119.6750	0.000	1	120.0725	0.437	64	120.0405	0.498	88	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.5170	0.356	2	125.5170	0.127	2	125.5170	0.127	2	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	124.1610	0.000	1	124.1610	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	124.3840	0.000	1	124.3840	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	126.2330	0.000	1	126.2330	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF){1|O<1>,1|O<2>,2|C<4>}	129.9430	0.000	1	129.9430	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,1|O<1>,2|C<4>}	126.9410	0.000	1	126.9410	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	123.7502	0.279	4	123.7502	0.078	4	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3){1|C<4>,1|O<1>,1|S<4>}	127.3770	0.000	1	127.3770	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	129.3130	0.000	1	129.3130	0.000	1	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	125.6080	1.523	2	125.6080	2.320	2	125.7361	4.796	13	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	126.4590	0.000	1	126.4590	0.000	1	126.4590	0.000	1	120.9150	5.470	108	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	4:4:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:P[6]-4:C[6]-3:	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	126.8520	0.381	3	126.8520	0.145	3	126.8520	0.145	3	126.8520	0.145	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	5:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-5:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]N[5]OsO)(C[6]C[6]C)(OOs)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|Os<10>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6a]N[5]OsO)(C[6]C[6]C)(OOs){1|N<3>,1|O<1>,3|C<3>}	118.7130	0.000	1	118.7130	0.000	1	118.7130	0.000	1	118.7130	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:1:1:1:	6:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,5|B<6>,6|H<1>}	120.2235	0.097	2	120.2235	0.009	2	120.2235	0.009	2	120.2235	0.009	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	115.7870	0.000	1	115.7870	0.000	1	115.8025	0.000	2	115.8025	0.000	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS){1|H<1>,2|C<3>}	115.8180	0.000	1	115.8180	0.000	1	115.8025	0.000	2	115.8025	0.000	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.4040	0.950	2	121.4040	0.903	2	121.1587	0.632	3	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.6680	0.000	1	120.6680	0.000	1	121.1587	0.632	3	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO){1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	114.5910	0.000	1	114.5910	0.000	1	114.5910	0.000	1	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	113.8920	0.000	1	113.8920	0.000	1	113.8920	0.000	1	119.1891	9.815	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-2:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	118.0150	0.000	1	118.0150	0.000	1	118.0150	0.000	1	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]Ru)(CHHN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]Ru)(CHHN){2|C<3>}	C(C[6]C[6]2)(NC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|O<2>,2|C<3>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.8040	0.000	1	123.8040	0.000	1	122.4480	3.677	2	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	121.0920	0.000	1	121.0920	0.000	1	122.4480	3.677	2	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO){3|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO){1|O<2>,3|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	126.0880	0.000	1	126.0880	0.000	1	125.1227	0.830	3	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	124.2780	0.000	1	124.2780	0.000	1	125.1227	0.830	3	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	125.0020	0.000	1	125.0020	0.000	1	125.1227	0.830	3	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO){3|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|C<2>,2|F<1>}	114.1710	0.000	1	114.1710	0.000	1	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	113.1940	0.000	1	113.1940	0.000	1	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	122.2460	0.000	1	122.2460	0.000	1	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO)	C(C[6]C[6]2)(OMo)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO){1|C<2>,2|H<1>}	C(C[6]C[6]2)(OMo)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	119.8250	0.000	1	119.8250	0.000	1	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.7885	1.310	2	121.5485	1.256	20	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.2870	0.000	1	121.5485	1.256	20	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.6717	1.014	14	121.5485	1.256	20	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.5935	2.058	2	121.5485	1.256	20	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5150	0.000	1	121.5485	1.256	20	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	124.7806	1.625	9	124.7806	2.642	9	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	124.2000	0.000	1	122.4688	5.299	9	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2524	2.361	8	122.4688	5.299	9	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.5907	1.153	7	121.7213	0.998	12	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.6930	0.000	1	121.7213	0.998	12	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.3010	0.000	1	121.7213	0.998	12	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.2400	0.000	1	121.7213	0.998	12	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Rh<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.6435	0.622	2	121.7213	0.998	12	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	123.6500	0.000	1	123.6500	0.000	1	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<2>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6130	0.672	3	120.9198	0.408	5	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	121.3800	0.150	2	120.9198	0.408	5	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.4763	1.272	6	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.5700	0.296	2	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	123.1490	0.000	1	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.5882	1.547	12	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.0415	0.033	4	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.1275	3.408	2	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.3230	3.651	2	121.1473	2.572	29	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	120.4393	1.609	6	119.9756	2.144	9	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	118.8735	0.383	2	119.9756	2.144	9	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	119.3970	0.000	1	119.9756	2.144	9	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	119.8050	0.000	1	119.8050	0.000	1	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.7833	1.091	6	120.8641	3.405	8	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.1065	4.211	2	120.8641	3.405	8	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.5920	0.000	1	121.3220	0.146	2	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.0520	0.000	1	121.3220	0.146	2	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.6850	0.000	1	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.4377	0.552	3	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	123.0825	0.670	2	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.0460	0.083	2	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	121.4240	2.000	2	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	121.3735	2.166	2	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	121.5925	2.952	2	121.3596	2.369	14	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.2170	0.417	2	120.1730	2.533	6	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	118.4700	1.035	2	120.1730	2.533	6	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	121.8320	0.332	2	120.1730	2.533	6	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){3|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	119.8851	0.804	12	119.8851	0.646	12	121.2458	4.041	141	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	121.5330	0.000	1	121.5330	0.000	1	119.0625	12.207	2	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	116.5920	0.000	1	116.5920	0.000	1	119.0625	12.207	2	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	116.9380	0.000	1	116.9380	0.000	1	119.5659	1.290	27	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	119.2390	0.000	1	119.2390	0.000	1	119.5659	1.290	27	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	119.7654	0.730	9	119.3311	0.830	16	119.5659	1.290	27	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	118.7727	0.848	7	119.3311	0.830	16	119.5659	1.290	27	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1215	1.227	2	120.1215	1.505	2	119.5659	1.290	27	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3660	1.047	7	120.3660	1.096	7	119.5659	1.290	27	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.1730	0.000	1	120.1730	0.000	1	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.7690	1.533	2	120.4947	0.815	16	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4555	0.864	14	120.4947	0.815	16	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	122.8890	0.000	1	122.8890	0.000	1	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC[6])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6])(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.2774	1.689	9	118.2774	2.852	9	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	117.9920	0.000	1	117.9920	0.000	1	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.2117	2.070	8	119.2117	4.286	8	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5530	0.000	1	121.3455	1.256	2	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	122.1380	0.000	1	121.3455	1.256	2	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.7000	0.000	1	118.7000	0.000	1	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Rh<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5830	0.072	2	120.5830	0.005	2	119.7492	2.943	41	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.7343	1.150	3	121.7343	1.322	3	121.8134	2.873	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHS)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHS){1|N<3>,2|H<1>}	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.8530	2.015	6	121.8530	4.062	6	121.8134	2.873	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]2)(SC)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.7727	0.341	3	120.7727	0.116	3	120.7727	0.116	3	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSeHH)	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(SeC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3893	0.356	4	121.3893	0.127	4	121.5828	0.513	6	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSeHH)	C(C[6]C[6]2)(SeC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(SeC[6a])(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.9700	1.317	2	121.9700	1.734	2	121.5828	0.513	6	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.9573	0.455	4	124.9573	0.207	4	125.1541	1.335	18	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	124.2063	0.472	3	124.2063	0.223	3	125.1541	1.335	18	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.5565	0.814	2	123.5565	0.662	2	125.1541	1.335	18	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	125.9126	0.990	9	125.9126	0.980	9	125.1541	1.335	18	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.8827	3.157	3	123.4774	3.799	7	123.2809	3.488	13	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.9235	0.578	4	123.4774	3.799	7	123.2809	3.488	13	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.4405	0.054	2	122.4405	0.003	2	123.2809	3.488	13	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	125.2030	1.764	2	125.2030	3.110	2	123.2809	3.488	13	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHS)	C(C[6]C[6]N[6])(SW)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SW)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<5>}	121.5115	0.786	2	121.5115	0.617	2	123.2809	3.488	13	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.9020	0.000	1	121.9020	0.000	1	122.0860	1.279	4	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.5720	0.000	1	120.5720	0.000	1	122.0860	1.279	4	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.1220	0.000	1	123.1220	0.000	1	122.0860	1.279	4	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.7480	0.000	1	122.7480	0.000	1	122.0860	1.279	4	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	123.0460	0.000	1	123.0460	0.000	1	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.6590	0.000	1	121.6590	0.000	1	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	122.9860	0.000	1	122.9860	0.000	1	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.9140	0.000	1	119.9140	0.000	1	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	123.2290	0.000	2	123.2290	0.000	2	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPt)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NPt)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	126.9030	0.052	2	126.9030	0.003	2	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<5>,1|H<1>}	C(C[6]C[6]N[6])(NP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<14>,1|C<4>,1|H<1>}	121.5830	0.000	1	121.5830	0.000	1	123.2724	5.405	9	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO){2|O<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	123.1445	0.319	2	123.1445	0.102	2	123.1445	0.102	2	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	120.2890	0.000	1	120.2890	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC[6a])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	122.8363	0.371	4	122.8363	0.138	4	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	119.6310	0.000	1	119.6310	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.4520	0.000	1	122.4520	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.9740	0.402	2	122.9301	0.465	7	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.3126	0.131	5	122.9301	0.465	7	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.2225	0.115	2	122.2225	0.013	2	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.9000	0.000	1	119.9000	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.6867	1.443	6	119.6867	2.083	6	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	122.7570	0.000	1	122.7570	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.5290	0.000	1	120.5290	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.8850	0.000	1	121.8850	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.7830	0.216	2	120.7347	12.610	3	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	116.6380	0.000	1	120.7347	12.610	3	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ON)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ON)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.2446	0.980	8	121.2446	0.960	8	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.1423	1.374	3	121.0784	2.600	5	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.4825	0.234	2	121.0784	2.600	5	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.9895	0.956	4	121.9895	0.913	4	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.9650	0.000	1	117.9220	2.176	2	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.8790	0.000	1	117.9220	2.176	2	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	122.2480	0.000	1	122.2480	0.000	1	121.3361	2.983	49	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	118.7307	0.656	6	118.7307	0.430	6	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.0610	0.446	4	121.0610	0.199	4	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.3997	0.206	3	121.3997	0.043	3	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[5a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.7180	0.000	1	121.7180	0.000	1	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.1525	0.346	2	122.5307	0.489	3	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[6a])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.2870	0.000	1	122.5307	0.489	3	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.5660	0.000	1	119.5660	0.000	1	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SNi)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SNi)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.6370	1.926	2	121.6370	3.710	2	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.8175	0.358	4	120.8175	0.128	4	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SPd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SPd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.3470	0.806	4	122.3470	0.649	4	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SRe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SRe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.6545	4.386	2	121.6247	12.443	3	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SRe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SRe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	123.5650	0.000	1	121.6247	12.443	3	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.9320	0.000	1	120.9320	0.000	1	120.9825	2.745	32	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.1220	0.122	3	121.1220	0.015	3	121.1220	0.015	3	121.2814	4.747	370	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	121.1691	4.394	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	117.3960	0.000	1	117.3960	0.000	1	120.8007	5.741	10	121.1691	4.394	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	121.1790	2.202	9	121.1790	4.849	9	120.8007	5.741	10	121.1691	4.394	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO)	C(C[6]C[6]2)(OMo)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO){1|C<2>,2|H<1>}	C(C[6]C[6]2)(OMo)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo){1|C<3>,1|H<1>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.1691	4.394	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	122.5240	0.000	1	122.5240	0.000	1	122.4240	0.020	2	121.1691	4.394	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	122.3240	0.000	1	122.3240	0.000	1	122.4240	0.020	2	121.1691	4.394	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8440	0.000	1	123.8440	0.000	1	123.8440	0.000	1	121.9799	1.596	9	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	122.1131	0.473	7	122.1131	0.224	7	122.1131	0.224	7	121.9799	1.596	9	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	119.1830	0.000	1	119.1830	0.000	1	119.1830	0.000	1	121.9799	1.596	9	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	123.4460	0.000	1	123.4460	0.000	1	120.9458	2.716	21	120.9458	2.716	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	120.2753	2.118	9	120.2753	4.486	9	120.9458	2.716	21	120.9458	2.716	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	122.2660	0.000	1	122.2660	0.000	1	120.9458	2.716	21	120.9458	2.716	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	121.0863	0.815	9	121.1672	0.655	10	120.9458	2.716	21	120.9458	2.716	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	121.8950	0.000	1	121.1672	0.655	10	120.9458	2.716	21	120.9458	2.716	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS)	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(SC[6a])(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	125.2390	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	117.3000	0.000	1	117.3000	0.000	1	115.9228	1.087	4	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O)	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	115.4637	0.605	3	115.4637	0.366	3	115.9228	1.087	4	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[4,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[4,5,6]C[3,5,6]C[4,5,6]O[4])(C[6]C[6]C)(H)	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[4,5,6]C[3,5,6]C[4,5,6]O[4])(C[6]C[6]C)(H){1|O<1>,1|O<2>,5|C<4>}	123.6153	0.568	3	123.6153	0.322	3	123.6153	0.322	3	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	C(C[6]C[6]2)(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2)(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|D<1>,1|H<1>,3|C<4>}	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.4840	0.000	1	122.4840	0.000	1	123.6397	1.016	3	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	124.2175	0.169	2	124.2175	0.029	2	123.6397	1.016	3	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO){1|O<2>,3|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	116.7620	0.000	1	116.7620	0.000	1	116.7620	0.000	1	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	114.9550	0.144	2	114.9550	0.021	2	114.9550	0.021	2	119.0116	18.054	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	125.2880	0.228	2	125.2880	0.052	2	125.2880	0.052	2	125.2880	0.052	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	C(C[6]C[6]2)(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2)(OD)(H)2	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	127.9510	0.000	1	127.9510	0.000	1	127.9510	0.000	1	125.5707	4.489	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO){1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.8700	0.000	1	124.8700	0.000	1	124.8700	0.000	1	125.5707	4.489	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:1:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO)	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO){2|C<4>,3|H<1>}	C(C[6]C[6]N[6])(OH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	123.8910	0.000	1	123.8910	0.000	1	123.8910	0.000	1	125.5707	4.489	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO)	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOO)	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.2640	0.000	1	121.1527	1.195	3	120.7385	1.483	4	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOO)	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHOO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.5970	0.733	2	121.1527	1.195	3	120.7385	1.483	4	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOO)	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(OH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	119.4960	0.000	1	119.4960	0.000	1	120.7385	1.483	4	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C(C[6]C[6]N[6])(OC)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OC)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.8995	1.356	4	124.8995	1.840	4	124.8840	1.381	5	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C(C[6]C[6]N[6])(OH)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.8220	0.000	1	124.8220	0.000	1	124.8840	1.381	5	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(CHOO)	C(C[6]C[6]N[6])(OC)2(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(CHOO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)2(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Bi<6>,2|C<3>}	123.7333	0.892	3	123.7333	0.795	3	123.7333	0.795	3	122.9444	5.184	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-2:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	C(C[6]C[6]2)(CN)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	C(C[6]C[6]2)(CN)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	117.8820	0.000	1	117.8820	0.000	1	117.8820	0.000	1	117.8820	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:2:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-2:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	C(C[6]C[6]2)(CN)2(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	C(C[6]C[6]2)(CN)2(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2){3|C<3>}	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:2:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-2:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6])(OCuH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	123.3220	0.000	1	123.3220	0.000	1	123.3220	0.000	1	123.3220	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(O){1|C<4>,3|C<3>}	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:1:	C[3x6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[3x6]C)(O[6]C[6])(O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[3x6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[3x6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	114.3580	0.362	2	114.3580	0.131	2	114.3580	0.131	2	117.5544	11.302	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,2|O<2>}	115.6190	0.000	1	115.6190	0.000	1	115.6190	0.000	1	117.5544	11.302	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>}	123.1210	0.000	1	123.1210	0.000	1	123.1210	0.000	1	117.5544	11.302	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHS){1|C<3>,1|H<1>}	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	117.5544	11.302	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<3>,2|H<1>}	114.2250	0.000	1	114.2250	0.000	1	117.7047	9.206	3	117.5544	11.302	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	119.4445	0.500	2	119.4445	0.250	2	117.7047	9.206	3	117.5544	11.302	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]O[6]O)2(CC[5a]HH)	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(OC)	C[6](C[6]O[6]O)2(CC[5a]HH){1|C<4>}	C(C[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(OC){1|O<1>,1|O<2>,2|C<4>}	127.2440	0.000	1	127.2440	0.000	1	127.2440	0.000	1	127.4985	39.867	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){2|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|C<3>,2|H<1>}	132.0450	0.277	2	132.0450	0.077	2	132.0450	0.077	2	127.4985	39.867	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NFeC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NFeC)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OFe){1|C<3>,2|H<1>}	118.6600	0.000	1	118.6600	0.000	1	118.6600	0.000	1	127.4985	39.867	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS){2|C<3>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	121.9923	1.936	43	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	122.7276	0.964	9	122.7276	0.929	9	122.7276	0.929	9	121.9923	1.936	43	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	119.5812	0.458	4	119.5812	0.209	4	119.5812	0.209	4	121.9923	1.936	43	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	122.1730	1.129	27	122.2028	1.229	29	122.2028	1.229	29	121.9923	1.936	43	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|Ru<9>,1|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	122.6050	0.955	2	122.2028	1.229	29	122.2028	1.229	29	121.9923	1.936	43	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]N[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	120.8600	0.386	4	120.8600	0.149	4	120.8600	0.149	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	118.1120	0.643	2	118.1120	0.414	2	118.1120	0.414	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	119.6593	0.322	3	119.6593	0.104	3	119.3960	0.346	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	118.6060	0.000	1	118.6060	0.000	1	119.3960	0.346	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|O<2>,2|C<4>,3|H<1>}	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|Br<1>,1|H<1>,3|C<3>}	115.3930	0.000	1	115.3930	0.000	1	117.5610	4.683	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	117.5690	0.000	1	118.6450	2.316	2	117.5610	4.683	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	119.7210	0.000	1	118.6450	2.316	2	117.5610	4.683	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br){1|O<1>,2|C<3>}	125.1640	0.000	1	125.1640	0.000	1	125.1640	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	125.2810	0.000	1	125.2810	0.000	1	121.8522	4.493	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.2660	0.000	1	120.2660	0.000	1	121.8522	4.493	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.0130	0.000	1	121.0130	0.000	1	121.8522	4.493	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.3505	1.579	2	121.3505	2.493	2	121.8522	4.493	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	114.7250	0.000	1	114.7250	0.000	1	115.6162	1.883	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	118.0010	0.000	1	115.9280	3.524	3	115.6162	1.883	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	114.8915	0.776	2	115.9280	3.524	3	115.6162	1.883	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|N<3>}	114.7940	0.000	1	114.7940	0.000	1	115.6162	1.883	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	116.3940	0.000	1	116.3940	0.000	1	115.6162	1.883	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH){2|C<3>,2|C<4>}	C(C[6]C[6]2)2(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,2|O<2>}	118.6840	0.000	1	118.6840	0.000	1	118.6840	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.3538	0.424	6	120.3538	0.180	6	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	123.6665	0.648	8	123.6665	0.420	8	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	120.2737	0.524	7	118.2487	10.123	11	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<4>,2|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	117.5620	0.000	1	118.2487	10.123	11	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){2|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H){1|C<2>,1|H<1>,1|O<2>}	112.5605	1.111	2	118.2487	10.123	11	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){3|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.1370	0.000	1	118.2487	10.123	11	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.3394	0.683	16	121.3394	0.466	16	120.8200	6.381	41	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	117.6608	0.699	8	117.6608	0.488	8	120.4113	4.805	23	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	121.6270	0.847	6	121.8783	0.677	15	120.4113	4.805	23	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.0201	0.863	8	121.8783	0.677	15	120.4113	4.805	23	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){3|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.2510	0.000	1	121.8783	0.677	15	120.4113	4.805	23	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Br<1>,1|N<3>,3|C<3>}	114.9510	0.000	1	114.9510	0.000	1	114.9385	0.000	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]Pd)(CHHN){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Pd<4>,1|N<3>,3|C<3>}	114.9260	0.000	1	114.9260	0.000	1	114.9385	0.000	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br)	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]C)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br){1|C<3>,1|N<3>,1|O<1>}	125.8030	0.000	1	125.8030	0.000	1	125.8030	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.6375	0.675	2	121.6375	0.456	2	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NFeC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NFeC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	122.8800	0.000	1	122.8800	0.000	1	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.0940	0.000	1	120.9118	0.458	6	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.0754	0.610	5	120.9118	0.458	6	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2523	0.604	3	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.4270	0.000	1	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1050	1.777	9	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9840	0.228	2	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.7695	1.469	2	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.2160	0.000	1	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1448	1.016	12	121.2863	1.703	30	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.4580	0.758	3	120.4580	0.575	3	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.1020	0.778	2	121.1020	0.605	2	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	122.0130	0.000	1	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.8460	0.914	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	122.0385	0.240	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.7795	1.013	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9993	2.588	4	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.8465	2.465	4	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	121.5635	2.990	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	120.6570	1.683	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.5650	2.061	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.2410	3.879	2	121.2512	3.456	23	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	121.1400	0.462	2	120.3900	0.845	4	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	119.6400	0.267	2	120.3900	0.845	4	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	119.7560	0.000	1	119.7560	0.000	1	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.7142	2.013	6	120.7142	4.053	6	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.1810	2.355	2	120.1810	5.544	2	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.2855	2.268	2	121.2855	5.142	2	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NPP)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NPP)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.0590	5.016	2	121.0590	25.162	2	121.1098	2.431	84	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.1490	0.263	2	118.1490	0.069	2	118.1490	0.069	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.9277	0.779	3	119.9277	0.608	3	120.9915	2.220	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.0553	1.244	3	122.0553	1.548	3	120.9915	2.220	6	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCC)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	122.5910	0.000	1	122.5910	0.000	1	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.1888	0.406	5	121.1888	0.165	5	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.8270	0.000	1	121.8270	0.000	1	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.6581	1.282	8	121.6581	1.644	8	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9975	0.312	2	120.9975	0.097	2	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.5010	1.554	2	121.5026	1.300	15	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5590	0.000	1	121.5026	1.300	15	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.8315	0.767	12	121.5026	1.300	15	121.5050	1.063	32	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5445	0.351	2	121.3678	2.245	4	121.1183	1.571	16	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.1910	2.547	2	121.3678	2.245	4	121.1183	1.571	16	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|C<4>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	120.5275	0.474	2	120.5275	0.225	2	121.1183	1.571	16	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.0885	1.490	8	121.1367	1.739	10	121.1183	1.571	16	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	121.3295	0.139	2	121.1367	1.739	10	121.1183	1.571	16	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	120.7460	1.282	9	120.7460	1.644	9	120.7460	1.644	9	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	123.1995	1.210	2	123.1995	1.464	2	122.2897	3.973	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3800	2.673	2	121.3800	7.144	2	122.2897	3.973	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	121.5690	0.000	1	121.5690	0.000	1	121.0405	0.808	63	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.7355	0.286	4	121.0319	0.817	62	121.0405	0.808	63	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.6599	0.675	34	121.0319	0.817	62	121.0405	0.808	63	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	121.5675	0.717	10	121.0319	0.817	62	121.0405	0.808	63	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.6865	1.225	12	121.0319	0.817	62	121.0405	0.808	63	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.3440	0.417	2	121.0319	0.817	62	121.0405	0.808	63	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>}	124.0710	0.375	4	124.0710	0.141	4	124.0710	0.141	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OCuH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OCuH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	117.9090	0.000	1	117.9090	0.000	1	117.9090	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS)	C(C[6]C[6]2)(SC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS){3|C<3>}	C(C[6]C[6]2)(SC[6a]O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	120.7930	0.783	2	120.7930	0.614	2	120.7930	0.614	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHS){1|C<3>,1|H<1>}	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS)	C(C[6]C[6]2)(SC[6a]O)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS){3|C<3>}	C(C[6]C[6]2)(SC[6a]O)(H)2	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	121.3005	1.709	2	121.3005	2.921	2	121.3005	2.921	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	115.1255	0.374	2	115.1255	0.140	2	115.1255	0.140	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<1>}	122.0650	0.000	1	122.0650	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<1>}	121.3030	0.000	1	121.3030	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	122.2030	0.000	1	122.2030	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.5344	0.543	34	120.5344	0.295	34	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	122.8460	0.000	1	122.8460	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	123.8988	0.600	16	123.5655	1.184	43	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	123.3122	1.254	26	123.5655	1.184	43	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	124.8210	0.000	1	123.5655	1.184	43	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	120.3104	0.638	5	120.3104	0.406	5	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<7>,4|C<6>}	119.4750	0.501	2	119.4750	0.251	2	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	123.4880	0.000	1	123.4880	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|N<2>}	121.6620	0.000	1	121.6620	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){2|N<3>}	120.0800	0.000	1	120.0800	0.000	1	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.3285	0.227	2	121.3285	0.052	2	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	121.0590	0.324	2	121.0590	0.105	2	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.1148	1.733	8	121.1590	1.325	28	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	121.0023	1.026	10	121.1590	1.325	28	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.3511	0.719	10	121.1590	1.325	28	121.8119	2.689	123	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	115.4430	0.000	1	115.4430	0.000	1	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	117.8260	0.000	1	118.0803	1.742	27	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	118.1288	1.358	25	118.0803	1.742	27	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	117.1210	0.000	1	118.0803	1.742	27	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	121.2480	0.467	2	119.6656	3.699	56	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.7629	0.930	33	119.6656	3.699	56	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	116.9131	0.508	16	119.6656	3.699	56	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.5984	0.592	5	119.6656	3.699	56	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	117.7290	0.000	1	117.7290	0.000	1	119.0896	3.690	85	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	122.1657	1.003	27	122.1657	1.006	27	122.1657	1.006	27	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|S<1>}	115.9350	0.000	1	115.9350	0.000	1	117.5297	3.615	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	117.0200	0.000	1	117.0200	0.000	1	117.5297	3.615	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){3|N<3>}	119.6340	0.000	1	119.6340	0.000	1	117.5297	3.615	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|Ru<9>,1|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	121.5945	0.675	2	121.5945	0.456	2	121.5945	0.456	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Fe<6>,1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.7830	0.816	3	121.7830	0.666	3	120.9371	6.171	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	120.5599	3.123	8	120.5599	9.754	8	120.9371	6.171	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.1770	1.021	2	121.1770	1.043	2	120.9371	6.171	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Fe<6>,1|C<3>,1|H<1>}	C(N[5]C[5]N[5])(C[6]C[6]2)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.7990	0.619	3	119.7990	0.383	3	119.7990	0.383	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<6>,1|C<3>,1|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.6680	0.000	1	122.6680	0.000	1	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.9930	0.000	1	120.1615	9.405	2	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.3300	0.000	1	120.1615	9.405	2	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<2>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.8595	0.339	4	120.8595	0.115	4	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|N<3>,2|H<1>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.6502	2.699	4	120.6502	7.286	4	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	123.0330	0.000	1	123.0330	0.000	1	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a]N[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	118.3690	0.000	1	118.3690	0.000	1	120.8025	3.909	13	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	124.4590	0.000	1	124.4590	0.000	1	124.4590	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<6>,1|C<3>,1|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.4620	0.000	1	119.4620	0.000	1	119.8795	0.349	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<4>,1|C<3>,1|H<1>}	C(N[5a]C[5a]2)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2970	0.000	1	120.2970	0.000	1	119.8795	0.349	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH){1|Cd<4>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.0535	0.561	2	122.0535	0.314	2	122.0535	0.314	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6a]-3:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH){1|Cd<4>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9890	1.003	2	119.9890	1.005	2	119.9890	1.005	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-3:Br-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(Br)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CNO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CNO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.8815	0.810	2	124.8815	0.656	2	124.8815	0.656	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	119.0395	1.346	2	119.0395	1.811	2	119.5057	1.557	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.4380	0.000	1	120.4380	0.000	1	119.5057	1.557	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.9185	0.661	2	124.9185	0.437	2	125.1230	0.344	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	125.5320	0.000	1	125.5320	0.000	1	125.1230	0.344	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.6394	1.342	31	123.6394	1.801	31	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.7973	1.932	6	123.5655	2.804	11	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.2874	1.472	5	123.5655	2.804	11	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.0710	0.471	2	124.0710	0.222	2	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.5345	0.149	2	121.5345	0.022	2	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.2647	0.788	3	121.2647	0.621	3	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.9074	0.881	5	122.9074	0.776	5	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.4680	0.830	2	123.4680	0.689	2	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C(C[6]C[6]N[6])(NCV)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCV)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	121.5970	0.000	1	121.5970	0.000	1	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C(C[6]C[6]N[6])(NC[6a]V)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]V)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	123.0610	0.000	1	123.0610	0.000	1	123.3307	2.022	58	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.3010	0.000	1	123.3010	0.000	1	125.2800	7.833	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	127.2590	0.000	1	127.2590	0.000	1	125.2800	7.833	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHS)	C(C[6]C[6]N[6])(SC[6a]V)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a]V)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	120.3245	0.301	2	120.3245	0.090	2	120.3245	0.090	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.3303	0.130	3	124.3303	0.017	3	124.3303	0.017	3	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.3600	0.000	1	123.3600	0.000	1	123.3600	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN)	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>,3|O<2>}	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN)	C(C[6]N[6,6]C[6])(NCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]N[6,6]C[6])(NCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.0750	0.000	1	119.0750	0.000	1	119.3875	0.195	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.7000	0.000	1	119.7000	0.000	1	119.3875	0.195	2	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	125.2507	1.268	8	124.2381	2.389	14	123.2433	6.198	20	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.8880	0.361	6	124.2381	2.389	14	123.2433	6.198	20	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(CFeO)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	126.2220	0.000	1	126.2220	0.000	1	123.2433	6.198	20	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.0380	0.000	1	122.0380	0.000	1	123.2433	6.198	20	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.1310	0.000	1	120.1310	0.000	1	123.2433	6.198	20	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.0470	0.066	3	119.0470	0.004	3	123.2433	6.198	20	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH)	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5a]N[5a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.1450	0.000	1	120.1450	0.000	1	120.1450	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	121.0385	0.115	2	121.0385	0.013	2	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.1430	0.445	2	121.7343	1.891	6	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.0300	1.654	4	121.7343	1.891	6	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.0648	0.753	4	121.0648	0.567	4	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.7180	0.000	1	121.7180	0.000	1	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.4200	0.000	1	118.3320	1.663	2	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2440	0.000	1	118.3320	1.663	2	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.7305	0.049	2	121.7305	0.002	2	121.0932	1.985	17	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<5>,1|C<3>,1|H<1>}	121.4610	0.000	1	121.4610	0.000	1	120.7455	0.381	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.5070	0.480	3	120.5070	0.230	3	120.7455	0.381	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Ge[4]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH)	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(Ge[4]N[4]2)(H)2	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	118.9985	0.425	2	118.9985	0.181	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.0140	0.000	1	119.0140	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	119.3600	0.000	1	119.3600	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NAlC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NAlC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	122.7000	0.000	2	122.7000	0.000	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NAlP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NAlP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	122.9220	0.000	1	122.9220	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.4182	0.456	6	120.4182	0.208	6	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.6395	0.220	2	119.6395	0.048	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.6843	0.400	4	121.6843	0.160	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.9160	0.000	1	120.9160	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	127.2610	0.322	2	125.4832	4.294	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.7055	0.370	2	125.4832	4.294	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.4880	0.728	4	120.4880	0.530	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	121.4740	0.000	1	121.7315	0.133	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	121.9890	0.000	1	121.7315	0.133	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.9096	0.801	29	120.9259	0.616	31	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.1620	0.634	2	120.9259	0.616	31	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.6845	1.586	2	122.0244	1.180	5	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.4235	1.281	2	122.0244	1.180	5	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.9060	0.000	1	122.0244	1.180	5	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5,6]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5,6]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.7170	0.000	1	119.7170	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.2920	0.000	1	120.2920	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.3580	0.000	1	123.7140	5.739	7	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	125.4455	0.844	4	123.7140	5.739	7	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.9290	1.633	2	123.7140	5.739	7	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.3030	0.311	2	123.3030	0.097	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0390	0.000	1	119.0390	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.3900	0.000	1	121.3900	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	123.7295	1.067	2	122.0713	0.945	18	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	121.7290	0.000	1	122.0713	0.945	18	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.9561	0.786	10	122.0713	0.945	18	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.7070	0.858	5	122.0713	0.945	18	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.6860	0.625	2	121.3985	2.393	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.1110	0.396	2	121.3985	2.393	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.9270	0.000	2	120.9270	0.000	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	121.8250	0.381	3	121.8250	0.145	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	121.7730	0.000	1	122.4025	1.049	20	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.7608	1.405	4	122.4025	1.049	20	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.6157	0.898	15	122.4025	1.049	20	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.7807	0.302	3	123.0764	0.305	8	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.5300	0.052	4	123.0764	0.305	8	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.1490	0.000	1	123.0764	0.305	8	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	121.4940	0.000	1	121.4940	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NLiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NLiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	120.7570	0.000	1	120.7570	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NSiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NSiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	122.3160	1.698	2	122.3160	2.885	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.3550	0.000	1	120.3550	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.6390	0.000	1	121.6390	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.1306	0.845	17	121.1306	0.715	17	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.7190	0.000	1	121.0072	0.591	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.4315	0.640	2	121.0072	0.591	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.4470	0.000	1	121.0072	0.591	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.2015	1.414	2	122.2015	1.998	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.8530	0.000	1	122.8530	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.8150	0.000	1	121.8125	1.057	11	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.2040	0.000	1	121.8125	1.057	11	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.4855	0.227	2	121.8125	1.057	11	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.2783	0.758	7	121.8125	1.057	11	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.2345	1.053	2	123.2345	1.109	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.4410	1.246	2	120.4410	1.552	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NOsC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NOsC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	121.3800	0.000	1	121.3800	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.6708	0.414	18	120.5767	0.330	19	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	118.8820	0.000	1	120.5767	0.330	19	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4790	0.000	1	119.4790	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.6425	0.296	2	121.6425	0.088	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	125.6505	0.366	2	125.6505	0.134	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]N)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4410	0.000	1	119.4410	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.1030	0.822	2	121.0430	0.348	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9230	0.000	1	121.0430	0.348	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	127.8380	0.822	2	123.8380	7.794	7	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.2380	0.568	5	123.8380	7.794	7	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.3745	0.288	2	123.4592	0.433	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.7730	0.000	1	123.4592	0.433	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NPdP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	124.3150	0.000	1	123.4592	0.433	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NSnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NSnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.3435	0.286	2	121.3435	0.082	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.6050	0.000	1	121.7763	1.978	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.3620	1.377	2	121.7763	1.978	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.3880	0.578	2	121.3880	0.335	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pt)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	122.0153	0.560	3	122.0153	0.313	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.9350	0.000	1	122.9350	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	127.7112	0.781	10	126.8605	4.470	12	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	122.9600	0.000	1	126.8605	4.470	12	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	122.2540	0.000	1	126.8605	4.470	12	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NReC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.9220	0.000	1	120.9220	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRhC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	122.9300	0.518	4	122.9300	0.268	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.7100	0.000	1	121.2095	2.895	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.1425	0.142	2	121.2095	2.895	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.8430	0.000	1	121.2095	2.895	4	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.2990	0.000	1	122.2990	0.000	1	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.4780	0.000	1	121.4088	0.250	5	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.3915	0.575	4	121.4088	0.250	5	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.2910	0.000	1	120.7595	0.565	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.2280	0.000	1	120.7595	0.565	2	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.6876	0.739	7	121.1521	0.781	14	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.8406	0.795	5	121.1521	0.781	14	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.0570	0.663	2	121.1521	0.781	14	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	122.7337	0.392	3	122.7337	0.154	3	121.9106	3.448	276	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	118.4920	0.000	1	118.4920	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	121.8160	0.000	1	121.8160	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.8330	0.000	1	120.5505	3.290	2	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.2680	0.000	1	120.5505	3.290	2	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.5275	0.070	2	121.0734	0.234	5	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	120.4420	0.000	1	121.0734	0.234	5	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9350	0.284	2	121.0734	0.234	5	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.3748	0.338	4	121.7901	1.080	7	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.3235	0.342	2	121.7901	1.080	7	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.3850	0.000	1	121.7901	1.080	7	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.8853	0.669	3	120.1989	1.107	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.2205	0.233	2	120.1989	1.107	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.4740	0.000	1	120.1989	1.107	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	120.8277	0.663	3	120.1989	1.107	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9350	0.000	1	120.1989	1.107	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.2635	0.600	2	120.6001	1.585	8	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.1710	0.000	1	120.6001	1.585	8	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.2206	0.819	5	120.6001	1.585	8	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.8000	1.025	2	118.1252	1.189	6	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.4683	1.447	3	118.1252	1.189	6	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	117.7460	0.000	1	118.1252	1.189	6	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.3390	0.000	1	119.3390	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.5680	0.000	1	120.5680	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.5420	1.428	2	119.7336	0.995	7	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.8205	0.445	2	119.7336	0.995	7	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.1367	0.819	3	119.7336	0.995	7	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.9470	0.227	4	120.4306	1.882	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.6328	0.433	5	120.4306	1.882	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.3540	0.000	1	120.4306	1.882	10	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	121.2815	1.529	2	120.4190	3.401	3	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	118.6940	0.000	1	120.4190	3.401	3	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.6917	0.958	8	120.5326	2.570	36	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.4718	1.821	26	120.5326	2.570	36	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<7>,1|C<3>,1|H<1>}	120.6870	0.554	2	120.5326	2.570	36	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.2089	0.481	7	122.5589	0.802	13	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.8007	0.605	6	122.5589	0.802	13	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.9440	1.510	2	121.9440	2.281	2	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.0430	0.000	1	120.0430	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.1000	0.763	4	119.1621	0.325	8	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.2242	0.406	4	119.1621	0.325	8	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]N[5]P[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	118.9260	0.262	2	118.9260	0.068	2	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.9683	0.732	6	120.5861	1.170	16	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.0590	0.247	2	120.5861	1.170	16	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7673	1.016	6	120.5861	1.170	16	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	119.9970	0.000	1	120.5861	1.170	16	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	120.8480	0.000	1	120.5861	1.170	16	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7320	1.091	4	120.0360	0.955	6	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	120.6440	0.308	2	120.0360	0.955	6	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.5930	0.000	1	120.5930	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.8880	0.000	1	119.8880	0.000	1	120.5115	2.257	149	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5a]C[5a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.3130	0.000	1	122.3130	0.000	1	122.3130	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6,6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.4940	0.000	1	121.4940	0.000	1	121.9096	1.038	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	122.8090	0.000	1	122.8090	0.000	1	121.9096	1.038	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.3560	0.000	1	120.3560	0.000	1	121.9096	1.038	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.4445	0.428	2	122.4445	0.183	2	121.9096	1.038	5	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.4475	0.415	2	120.4475	0.172	2	120.4650	0.140	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.1310	0.000	1	120.1310	0.000	1	120.4650	0.140	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.8340	0.000	1	120.8340	0.000	1	120.4650	0.140	4	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ca<8>,2|C<3>}	119.6105	0.799	4	119.6105	0.638	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	122.5570	0.000	1	122.5570	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCaH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<10>,1|C<3>,1|H<1>}	120.2540	0.000	1	120.2540	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.5420	0.426	2	120.5420	0.181	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC[5]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC[5]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.2575	0.479	4	120.2575	0.230	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC[6]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC[6]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.1705	0.093	2	122.1705	0.009	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCo2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCo2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	127.3600	0.000	1	127.3600	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.9424	1.215	5	120.9424	1.476	5	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(OCoC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.3370	0.000	1	120.3370	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.8020	0.000	1	120.8020	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.3154	0.569	11	123.2941	0.299	12	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.0600	0.000	1	123.2941	0.299	12	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OCoH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	120.6040	0.000	1	120.6040	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCr2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCr2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	123.2817	0.536	6	123.2817	0.288	6	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.2720	0.000	1	122.2495	1.911	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.2270	0.000	1	122.2495	1.911	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.0410	0.981	2	122.3148	1.033	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.5885	0.163	2	122.3148	1.033	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.5570	0.584	2	121.5570	0.341	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.6733	0.808	3	121.6377	1.132	9	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.7127	0.526	3	121.6377	1.132	9	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	121.8900	0.337	2	121.6377	1.132	9	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	120.8010	0.000	1	121.6377	1.132	9	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.5510	0.000	1	122.2610	0.074	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.1643	0.234	3	122.2610	0.074	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(OFeC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.1460	0.000	1	123.1460	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.4630	1.126	6	123.3727	0.947	8	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OFeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.1020	0.300	2	123.3727	0.947	8	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMgC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OMgC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<7>,1|C<3>,1|H<1>}	121.7403	0.617	4	121.7403	0.381	4	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.6853	0.359	3	123.6853	0.129	3	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMnB)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMnB)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	124.7940	0.000	1	124.7940	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OMnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	122.9010	0.453	2	122.9010	0.205	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.5463	0.405	4	121.8418	0.695	8	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.1372	0.365	4	121.8418	0.695	8	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	121.9780	0.522	2	121.9780	0.272	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.8970	0.000	1	120.8970	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.9390	1.626	9	122.5307	3.242	20	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.4432	0.915	10	122.5307	3.242	20	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	120.7320	0.000	1	122.5307	3.242	20	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(ONiH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	121.8810	0.000	1	121.8810	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OReH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OReH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.9090	0.000	1	120.9090	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ORhC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ORhC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	122.3880	0.042	2	122.3880	0.002	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OC[6a]Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC[6a]Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.8850	0.000	1	119.8850	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ORu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ORu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	124.4870	1.352	2	124.4870	1.828	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.4610	0.000	1	119.8450	0.759	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ORuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2290	0.000	1	119.8450	0.759	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ORuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ORuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.7475	0.965	2	121.7475	0.932	2	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OZn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OZn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.8170	0.000	1	121.8170	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OZnH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OZnH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.5760	0.000	1	120.5760	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OZnH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OZnH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<6>,1|H<1>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	122.1646	2.341	126	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	120.7210	0.000	1	120.7210	0.000	1	120.4457	8.697	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.8950	0.690	2	122.4433	0.436	4	120.4457	8.697	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	121.9915	0.125	2	122.4433	0.436	4	120.4457	8.697	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	116.3130	0.824	2	116.3130	0.680	2	120.4457	8.697	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	125.2710	0.294	2	125.2710	0.087	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	122.8423	1.136	8	122.8423	1.291	8	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SAgC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SAgC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<5>,1|C<3>,1|H<1>}	121.2190	1.696	2	121.2190	2.875	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.3713	1.552	8	119.3713	2.410	8	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a]Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	121.1235	1.003	2	121.1235	1.007	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	121.6165	1.837	4	121.2850	2.304	6	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SCoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.6220	0.277	2	121.2850	2.304	6	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SCrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.8672	0.787	6	120.8672	0.620	6	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a]Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.2130	0.057	2	120.2130	0.003	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.7975	1.256	8	120.7703	3.269	16	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.1040	2.496	3	120.7703	3.269	16	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.1927	0.179	4	120.7703	3.269	16	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.8620	0.000	1	120.7703	3.269	16	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<5>,1|H<1>,3|C<3>}	119.7885	1.395	2	119.7885	1.946	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.2745	1.580	2	121.2745	2.498	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.7007	0.211	3	121.7007	0.044	3	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.2120	0.403	4	121.2120	0.162	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SFe2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SFe2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.0550	0.525	2	120.0550	0.275	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	122.3660	0.000	1	119.6236	1.721	8	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SFeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.2319	0.758	7	119.6236	1.721	8	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SHgC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SHgC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<6>,1|C<3>,1|H<1>}	119.8475	0.281	2	119.8475	0.079	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[6a]Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	122.7370	1.451	3	122.7370	2.105	3	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SIrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SIrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	121.3300	0.871	2	121.3300	0.759	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SMnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SMnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.4636	0.690	12	120.4636	0.476	12	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.2360	0.000	1	119.2360	0.000	1	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(SC[6a]Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	117.9000	0.000	1	117.9000	0.000	1	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.0180	0.000	1	119.0180	0.000	1	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.5730	0.264	2	119.2910	0.175	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.0090	0.372	2	119.2910	0.175	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.6510	0.000	1	120.0042	1.250	5	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(SC[6a]Ni)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.3425	0.950	4	120.0042	1.250	5	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.8242	0.779	13	119.6229	0.912	17	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SNiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.9688	1.299	4	119.6229	0.912	17	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.0752	1.327	8	121.6012	2.600	10	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(SC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.7050	0.000	2	121.6012	2.600	10	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SPt2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SPt2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.5330	0.000	1	122.5330	0.000	1	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.0960	0.836	2	120.8627	1.449	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SPtC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.6295	1.852	2	120.8627	1.449	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SReC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SReC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.7634	1.019	7	119.7634	1.038	7	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[6a]Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.5563	1.673	3	121.5563	2.799	3	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SC[6a]Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[6a]Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	122.6058	0.255	4	122.6058	0.065	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SRu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SRu2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.1730	0.054	2	123.1730	0.003	2	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.2165	0.449	2	120.8955	1.322	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	120.5745	1.831	2	120.8955	1.322	4	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.3560	0.443	2	118.7667	0.604	3	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.5880	0.000	1	118.7667	0.604	3	120.7075	2.628	159	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeCdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.0545	0.277	4	119.0545	0.077	4	120.2090	2.669	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC[6a]Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC[6a]Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.9010	0.000	1	120.9010	0.000	1	120.2090	2.669	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SeC[6a]Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9382	1.838	6	120.9382	3.380	6	120.2090	2.669	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC[6a]Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC[6a]Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	120.2830	0.000	1	120.2830	0.000	1	120.2090	2.669	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeC[6a]Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeC[6a]Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.5840	0.000	1	121.5840	0.000	1	120.2090	2.669	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Se-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH)	C(C[6]C[6]N[6])(SeRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SeRuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.2600	2.745	2	119.2600	7.535	2	120.2090	2.669	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si[4]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(Si[4]N[4]2)(H)2	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	117.6365	1.149	2	117.6365	1.320	2	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(N[5]C[5,6a]N[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.4120	0.000	1	120.4120	0.000	1	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.2870	0.764	2	121.2870	0.583	2	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.5160	0.491	2	121.1830	0.453	3	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	120.5170	0.000	1	121.1830	0.453	3	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.4395	0.914	4	121.1361	3.172	7	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.3983	0.578	3	121.1361	3.172	7	120.6507	3.098	15	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	120.5660	0.000	1	120.5660	0.000	1	121.2600	0.738	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.4390	0.000	1	120.4390	0.000	1	121.2600	0.738	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.1290	1.328	2	121.1290	1.763	2	121.2600	0.738	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.1180	0.000	2	122.1180	0.000	2	121.2600	0.738	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[5a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	121.3210	0.000	1	121.3210	0.000	1	121.2600	0.738	7	121.2485	4.053	1489	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO){1|H<1>,2|C<4>}	116.7190	0.190	2	116.7190	0.036	2	116.7190	0.036	2	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	122.6620	0.000	1	122.6620	0.000	1	122.6620	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	123.0230	0.000	1	123.0230	0.000	1	119.4393	11.666	4	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OOs)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OOs){1|O<1>,2|C<3>}	120.6530	0.000	1	120.6530	0.000	1	119.4393	11.666	4	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]C)2(OC){1|C<3>,1|C<4>,1|O<1>}	114.8990	0.000	1	114.8990	0.000	1	119.4393	11.666	4	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	119.1820	0.000	1	119.1820	0.000	1	119.4393	11.666	4	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<4>,2|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(OH){1|C<3>,2|H<1>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(OIr)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(OIr){1|Ir<8>,1|C<3>,1|H<1>}	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OFe2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(OFe2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>}	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>}	119.5130	0.000	1	119.5130	0.000	1	119.5130	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|H<1>,5|C<3>}	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN)	C(C[6]C[6]N[6])(NHS)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(NHS)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.5738	7.663	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CC[5]HH)	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CHH)	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	119.9050	0.630	4	119.9050	0.397	4	119.9050	0.397	4	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(OCuH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OCuH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	122.9340	0.000	1	122.9340	0.000	1	122.9340	0.000	1	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CCC){1|O<1>,1|O<2>,2|H<1>}	125.1710	0.000	1	125.1710	0.000	1	125.1710	0.000	1	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	122.8340	0.000	1	122.8340	0.000	1	121.9905	1.423	2	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	121.1470	0.000	1	121.1470	0.000	1	121.9905	1.423	2	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.8820	0.000	1	121.7033	4.919	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CC[5]HH)	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C(C[5]N[5]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CH3){3|C<3>}	119.4500	0.216	2	119.4500	0.047	2	119.4500	0.047	2	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C(C[6]C[6]2)(OFe2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(OFe2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|O<2>}	122.7210	0.000	1	122.7210	0.000	1	122.7210	0.000	1	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	124.3010	0.331	2	124.3010	0.110	2	124.3960	0.082	3	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	124.5860	0.000	1	124.5860	0.000	1	124.3960	0.082	3	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	124.4930	0.000	1	124.4930	0.000	1	124.4930	0.000	1	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	124.9730	0.130	2	124.9363	0.057	4	124.9363	0.057	4	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	124.8995	0.387	2	124.9363	0.057	4	124.9363	0.057	4	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	122.9330	0.000	1	122.9330	0.000	1	123.0225	0.016	2	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	123.1120	0.000	1	123.1120	0.000	1	123.0225	0.016	2	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CHHS)	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CHHS)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CHHS){1|Cu<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(SCuC)(H)2	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CHHS){1|Cu<5>,1|C<3>,1|C<4>}	119.6830	0.238	2	119.6830	0.056	2	119.6830	0.056	2	122.6706	6.096	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6])(COO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(COO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	115.0975	0.289	2	115.0975	0.084	2	115.9783	2.369	3	117.1460	1.939	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	C(C[6]C[6,6]C[6])(CCH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	117.7400	0.000	1	117.7400	0.000	1	115.9783	2.369	3	117.1460	1.939	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6,6]C[6])2(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6])2(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	117.7140	0.803	4	117.7140	0.646	4	117.7140	0.646	4	117.1460	1.939	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	117.1460	1.939	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	3:4:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-4:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(NHS)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH)	C(C[6]C[5,6]C[6])(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CCHH){2|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	119.8305	0.327	2	119.8305	0.107	2	119.8305	0.107	2	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	128.5940	0.000	1	128.5940	0.000	1	128.5940	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){2|C<4>,4|H<1>}	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.9470	0.000	1	123.9470	0.000	1	123.9470	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	123.0920	0.000	1	123.0920	0.000	1	123.8130	1.040	2	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.5340	0.000	1	124.5340	0.000	1	123.8130	1.040	2	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCO)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,5|C<4>}	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	123.1160	0.000	1	123.1160	0.000	1	123.1160	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.0210	0.000	1	115.0210	0.000	1	117.4462	3.009	4	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,1|O<1>,4|C<4>}	117.3660	0.000	1	117.3660	0.000	1	117.4462	3.009	4	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.6990	0.000	2	118.6990	0.000	2	117.4462	3.009	4	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	123.7660	0.000	1	123.7660	0.000	1	123.7660	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	116.5780	0.000	1	117.1543	0.629	3	118.3598	2.298	10	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	117.4425	0.872	2	117.1543	0.629	3	118.3598	2.298	10	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	120.9200	0.000	1	118.9912	2.528	6	118.3598	2.298	10	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.6054	1.430	5	118.9912	2.528	6	118.3598	2.298	10	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.1880	0.000	1	118.1880	0.000	1	118.3598	2.298	10	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	119.2300	0.065	2	119.0182	0.179	4	119.0182	0.179	4	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.8065	0.595	2	119.0182	0.179	4	119.0182	0.179	4	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	115.2660	0.000	1	115.2660	0.000	1	118.1163	6.366	3	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.0190	0.000	1	119.0190	0.000	1	118.1163	6.366	3	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	120.0640	0.000	1	120.0640	0.000	1	118.1163	6.366	3	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	125.9390	0.000	1	125.9390	0.000	1	125.9390	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	116.9730	0.000	1	116.9730	0.000	1	118.2056	0.727	5	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	117.8460	0.000	1	117.8460	0.000	1	118.2056	0.727	5	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	118.4060	0.000	1	118.7363	0.208	3	118.2056	0.727	5	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.9015	0.501	2	118.7363	0.208	3	118.2056	0.727	5	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(COO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH){1|H<1>,2|O<1>,4|C<3>}	C(C[6]N[5,6]C[6])(COO)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H){1|C<4>,1|S<4>,3|C<3>}	123.6650	0.000	1	123.6650	0.000	1	123.6650	0.000	1	119.4677	9.529	39	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|O<1>,4|C<4>}	120.8590	0.000	2	120.8590	0.000	2	120.8590	0.000	2	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|C<4>,1|O<1>,2|H<1>}	118.9140	0.000	1	121.7052	3.387	6	121.8658	2.515	8	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|O<1>,3|C<4>}	122.2634	1.377	5	121.7052	3.387	6	121.8658	2.515	8	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	122.1860	0.000	1	122.1860	0.000	1	121.8658	2.515	8	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	122.5090	0.000	1	122.5090	0.000	1	121.8658	2.515	8	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH){2|C<3>,2|C<4>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	121.7870	0.000	1	121.7870	0.000	1	121.9148	0.287	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	121.5215	0.366	2	121.9468	0.376	4	121.9148	0.287	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	122.3720	0.522	2	121.9468	0.376	4	121.9148	0.287	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	123.0940	0.000	1	123.0940	0.000	1	122.6504	0.289	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	121.8070	0.000	1	121.8070	0.000	1	122.6504	0.289	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	122.6080	0.000	1	122.7837	0.097	3	122.6504	0.289	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	122.8715	0.385	2	122.7837	0.097	3	122.6504	0.289	5	121.9735	1.305	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	126.4775	0.573	2	125.3415	2.222	4	125.3415	2.222	4	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.4390	0.000	1	125.3415	2.222	4	125.3415	2.222	4	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	124.9720	0.000	1	125.3415	2.222	4	125.3415	2.222	4	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCO)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	123.0750	0.000	1	123.0750	0.000	1	123.0750	0.000	1	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	123.6600	0.000	1	122.9517	0.871	3	122.9517	0.871	3	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	122.5975	0.995	2	122.9517	0.871	3	122.9517	0.871	3	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]O)(H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	123.7480	0.000	1	123.7480	0.000	1	123.7480	0.000	1	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,1|O<1>,2|H<1>}	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(COO)(H)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	127.4570	0.403	2	127.4570	0.162	2	127.4570	0.162	2	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	125.5640	0.000	1	125.1655	0.318	2	125.1655	0.318	2	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<4>,3|H<1>}	124.7670	0.000	1	125.1655	0.318	2	125.1655	0.318	2	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	128.3015	0.817	2	128.3015	0.667	2	128.3015	0.667	2	124.9476	5.610	16	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C(C[6]C[6]2)(CCO)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCO)(H)2	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	122.4745	2.266	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	122.4745	2.266	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:1:1:	6:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,6|H<1>}	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	122.3620	0.184	2	122.3620	0.034	2	121.2262	0.972	6	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	120.9800	0.000	1	120.9800	0.000	1	121.2262	0.972	6	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.9110	0.195	2	120.5510	0.408	3	121.2262	0.972	6	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(COO)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	119.8310	0.000	1	120.5510	0.408	3	121.2262	0.972	6	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	117.2760	0.000	1	117.2760	0.000	1	116.9496	1.344	5	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	116.8680	1.322	4	116.8680	1.747	4	116.9496	1.344	5	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C(C[6]C[6]N[6])(CNO)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CNO)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.0625	1.143	2	124.0625	1.307	2	124.0625	1.307	2	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	127.5480	0.000	1	127.5480	0.000	1	127.5480	0.000	1	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NC[6a]Fe)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	122.5790	0.000	1	122.5790	0.000	1	122.9487	0.062	4	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(OMo)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	123.0240	0.000	1	123.0240	0.000	1	122.9487	0.062	4	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NC[6a]Ni)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	123.0960	0.016	2	123.0960	0.000	2	122.9487	0.062	4	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHOO)	C(C[6]C[6]N[6])(OPtC)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OPtC)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	116.9380	2.507	2	116.9380	6.287	2	117.8070	5.409	3	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHOO)	C(C[6]C[6]N[6])(OReC)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OReC)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.5450	0.000	1	119.5450	0.000	1	117.8070	5.409	3	120.7032	10.121	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C-2:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(OH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	117.5435	0.013	2	117.5435	0.000	2	118.3193	1.806	3	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(OSi)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	119.8710	0.000	1	119.8710	0.000	1	118.3193	1.806	3	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br){1|C<4>,1|N<2>,2|H<1>}	123.8690	0.000	1	123.8690	0.000	1	123.8690	0.000	1	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.2750	0.000	1	123.1112	1.046	5	123.2597	0.969	6	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.0703	1.176	4	123.1112	1.046	5	123.2597	0.969	6	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	124.0020	0.000	1	124.0020	0.000	1	123.2597	0.969	6	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	115.8820	0.000	1	115.8820	0.000	1	115.8820	0.000	1	121.2970	9.410	11	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|Br<1>,1|C<4>,2|H<1>}	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-2:C-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CC[6a]CC){1|C<3>,2|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)2	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	119.3425	3.696	2	119.3425	13.661	2	119.3425	13.661	2	122.5179	5.214	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OFe)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OFe)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	127.8630	0.000	1	127.8630	0.000	1	127.8630	0.000	1	122.5179	5.214	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OFe)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OFe)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.3550	0.000	1	123.3550	0.000	1	122.6093	0.529	11	122.5179	5.214	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OC)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OC)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.4378	0.826	6	122.4378	0.682	6	122.6093	0.529	11	122.5179	5.214	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:2:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OH)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OH)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.6800	0.612	4	122.6800	0.374	4	122.6093	0.529	11	122.5179	5.214	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	115.8180	0.344	2	115.8180	0.118	2	115.8180	0.118	2	115.8180	0.118	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H){2|C<3>,2|H<1>}	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	116.4860	1.145	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:N-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>}	115.6220	0.000	1	115.6220	0.000	1	115.6220	0.000	1	116.4860	1.145	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	116.4860	1.145	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:N-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	C(C[6]C[6]2)(COO)(NHS)(H)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	125.2600	0.000	1	125.2600	0.000	1	125.2600	0.000	1	121.9865	21.432	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	118.7130	0.000	1	118.7130	0.000	1	118.7130	0.000	1	121.9865	21.432	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	115.8328	0.188	4	115.8328	0.035	4	115.8462	0.027	5	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	115.9000	0.000	1	115.9000	0.000	1	115.8462	0.027	5	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	117.5770	0.503	2	117.5770	0.253	2	117.5770	0.253	2	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<1>}	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	119.6230	1.317	2	119.6230	1.734	2	119.6230	1.734	2	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.1685	1.716	2	121.1685	2.945	2	121.1685	2.945	2	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	123.2620	0.000	1	124.0170	1.140	2	124.0170	1.140	2	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.7720	0.000	1	124.0170	1.140	2	124.0170	1.140	2	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.2840	3.292	2	121.2840	10.839	2	121.0940	5.713	6	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.9990	2.423	4	120.9990	5.873	4	121.0940	5.713	6	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	121.4140	0.000	1	121.4140	0.000	1	121.0717	3.730	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]2H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]2H){1|N<3>,2|H<1>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9005	2.699	2	120.9005	7.285	2	121.0717	3.730	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:N[5]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.3160	0.000	1	118.3160	0.000	1	118.3160	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.9325	1.191	2	123.9325	1.420	2	124.4013	1.369	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CNO)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	125.3390	0.000	1	125.3390	0.000	1	124.4013	1.369	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5a]-3:C[5a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H)	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H){1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])2(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(COO)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(COO)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.3620	0.589	6	121.3620	0.347	6	121.3620	0.347	6	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F)	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	121.1870	0.020	2	120.2418	0.593	6	120.7307	0.556	18	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F)	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.7692	0.309	4	120.2418	0.593	6	120.7307	0.556	18	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F)	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.8877	0.656	4	120.9751	0.394	12	120.7307	0.556	18	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F)	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.0187	0.655	8	120.9751	0.394	12	120.7307	0.556	18	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2H)	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.6854	0.510	9	120.6854	0.260	9	121.2210	0.511	21	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2H)	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.0973	0.132	3	122.0973	0.017	3	121.2210	0.511	21	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2H)	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.5087	0.310	3	121.5087	0.096	3	121.2210	0.511	21	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]2H)	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	121.4422	0.705	6	121.4422	0.497	6	121.2210	0.511	21	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.4935	0.193	2	120.0380	0.438	6	120.0380	0.438	6	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.3102	0.649	4	120.0380	0.438	6	120.0380	0.438	6	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.0373	0.248	4	119.0373	0.062	4	121.4547	5.507	12	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	124.5235	0.525	2	124.5235	0.276	2	121.4547	5.507	12	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NHS)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NHS)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.6505	2.152	4	121.6505	4.630	4	121.4547	5.507	12	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	122.8290	0.298	2	122.8290	0.089	2	121.4547	5.507	12	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	122.6230	0.000	1	122.6230	0.000	1	121.5150	0.930	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.8630	0.000	1	120.8630	0.000	1	121.5150	0.930	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.0590	0.000	1	121.0590	0.000	1	121.5150	0.930	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	126.4310	0.000	1	126.4310	0.000	1	121.1516	7.794	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mo)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	123.8420	0.000	1	123.8420	0.000	1	121.1516	7.794	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.1260	0.000	1	116.1260	0.000	1	121.1516	7.794	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.9450	0.035	2	120.9450	0.001	2	121.1516	7.794	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.5187	0.313	4	120.5187	0.098	4	121.1516	7.794	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.2900	0.000	2	121.2642	1.457	5	121.2642	1.457	5	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.9137	1.154	3	121.2642	1.457	5	121.2642	1.457	5	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:S-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(SCoC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCuC)(CHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(CHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	126.3000	0.000	1	126.3000	0.000	1	126.3000	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN)	C(C[6]C[6]N[6])(NHN)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NHN)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.8710	0.000	1	120.8710	0.000	1	120.8710	0.000	1	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(CCN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.2115	0.837	2	120.2115	0.700	2	120.3377	0.398	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(CC[6a]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.5900	0.000	1	120.5900	0.000	1	120.3377	0.398	3	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.4710	0.416	2	120.9227	0.988	3	120.8940	0.481	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.8260	0.000	1	120.9227	0.988	3	120.8940	0.481	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.5875	0.451	4	120.5875	0.204	4	120.8940	0.481	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.4640	0.485	2	121.4640	0.235	2	120.8940	0.481	9	120.9005	3.796	124	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH){1|C<2>,2|C<4>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.1702	0.209	4	122.1702	0.044	4	122.0656	0.087	5	121.1715	4.037	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C(C[6]C[6]2)(CNO)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.6470	0.000	1	121.6470	0.000	1	122.0656	0.087	5	121.1715	4.037	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	C(C[6]C[6]2)2(CC[6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	121.3645	0.504	2	121.3645	0.254	2	121.3645	0.254	2	121.1715	4.037	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	121.1715	4.037	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6]Mo)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	120.1113	1.921	6	120.3639	3.395	14	120.3639	3.395	14	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	120.5534	1.890	8	120.3639	3.395	14	120.3639	3.395	14	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	124.1470	0.000	1	124.1470	0.000	1	124.1470	0.000	1	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	116.1510	0.386	2	116.1510	0.149	2	116.1510	0.149	2	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	125.0690	0.000	1	125.0690	0.000	1	125.0690	0.000	1	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	115.9150	0.000	1	115.9150	0.000	1	117.8853	7.976	3	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	121.1210	0.000	1	121.1210	0.000	1	117.8853	7.976	3	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	116.6200	0.000	1	116.6200	0.000	1	117.8853	7.976	3	120.0128	7.401	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	121.5957	1.674	6	121.6454	3.214	14	121.6454	3.214	14	121.9003	3.959	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	121.6826	1.991	8	121.6454	3.214	14	121.6454	3.214	14	121.9003	3.959	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	125.4690	0.000	1	125.4690	0.000	1	125.4690	0.000	1	121.9003	3.959	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	124.2990	0.175	2	124.2990	0.031	2	124.2990	0.031	2	122.8293	6.495	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	119.8900	0.000	1	119.8900	0.000	1	119.8900	0.000	1	122.8293	6.495	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2C)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2C){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.8385	3.716	2	121.8385	13.808	2	121.8385	13.808	2	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O){3|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	123.8965	0.633	2	123.8965	0.401	2	123.8965	0.401	2	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	121.6375	2.293	2	121.5076	4.951	40	121.5076	4.951	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.3444	2.675	14	121.5076	4.951	40	121.5076	4.951	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.5921	2.024	24	121.5076	4.951	40	121.5076	4.951	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O){3|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	118.5260	0.341	2	118.5260	0.116	2	117.3633	4.113	3	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>}	115.0380	0.000	1	115.0380	0.000	1	117.3633	4.113	3	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCN)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.1570	0.000	1	124.1570	0.000	1	124.1570	0.000	1	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-3:C[5]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5]2O)	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]N[5]2)2(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.7748	0.458	6	120.7748	0.210	6	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.7665	0.620	2	120.8441	0.791	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.0598	0.721	6	120.8441	0.791	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.7050	0.000	1	120.8441	0.791	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.1285	0.288	2	120.3123	0.735	6	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.4043	1.079	4	120.3123	0.735	6	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.2824	1.050	7	121.1355	1.118	8	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.1070	0.000	1	121.1355	1.118	8	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3160	0.128	4	120.6619	1.560	12	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.3349	0.944	8	120.6619	1.560	12	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.4065	0.331	4	121.3442	1.748	17	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.0279	0.500	10	121.3442	1.748	17	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.6490	1.570	3	121.3442	1.748	17	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.7138	0.781	4	120.3400	2.996	12	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.1531	1.476	8	120.3400	2.996	12	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.3810	0.092	2	120.0114	0.294	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.3572	0.459	5	120.0114	0.294	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.7775	0.057	2	120.0114	0.294	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.3340	0.771	3	121.8760	1.612	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.6470	0.448	6	121.8760	1.612	9	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.5613	0.463	3	120.5613	0.214	3	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.7680	0.901	3	121.7680	0.813	3	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	121.4737	0.598	3	121.4737	0.358	3	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2O)	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])3(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.7700	0.365	3	121.7700	0.133	3	120.9179	1.487	100	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]NO)	C(C[6]C[6]N[6])2(NCuN)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]NO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NCuN)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.4425	0.462	2	122.4425	0.213	2	122.4425	0.213	2	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OCd2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OCd2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	123.8150	0.923	2	123.8150	0.853	2	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OCo2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OCo2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.6278	0.879	6	123.6278	0.773	6	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(ODyFe)(OFe)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(ODyFe)(OFe)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.4555	0.292	2	121.4555	0.085	2	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OFe2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OFe2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.9635	0.820	2	124.9133	0.973	6	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OFe2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(OFe2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	125.3882	0.704	4	124.9133	0.973	6	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OFeGd)(OFe)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OFeGd)(OFe)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.5468	0.722	4	121.5468	0.521	4	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(ONi2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(ONi2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.3077	0.722	10	123.3077	0.521	10	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(ONi2)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(ONi2)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	125.0330	0.601	2	125.0330	0.361	2	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(ONiH)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(ONiH)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	124.8983	0.830	6	124.8983	0.689	6	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OZn2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]OO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(OZn2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	123.9485	0.161	2	123.9485	0.026	2	123.7101	1.823	40	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCC)(OSn)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCC)(OSn)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	125.1483	0.262	3	125.1483	0.069	3	125.1483	0.069	3	121.7073	3.969	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	125.7830	0.000	1	125.7830	0.000	1	125.7830	0.000	1	125.7830	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:2:	4:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2(OH)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H){1|O<1>,6|C<3>}	120.9575	0.057	2	120.9575	0.003	2	120.9575	0.003	2	120.9575	0.003	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]3)	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	120.4497	2.594	4	120.4497	6.726	4	120.4497	6.726	4	120.4838	8.567	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3)	C(C[6]C[6]N[6])4	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])4	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	120.4838	8.567	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[5]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]3)	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]3){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])3(C[6]C[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	120.4838	8.567	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]2N)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]2N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])(NNiC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.7780	0.441	2	120.7780	0.195	2	120.7780	0.195	2	120.4838	8.567	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:N-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6a]2N)	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6a]2N){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	122.1843	0.875	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:2:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	121.6030	0.368	2	122.4240	0.567	6	122.4240	0.567	6	122.1843	0.875	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:2:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CC[6]2C){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	122.8345	0.475	4	122.4240	0.567	6	122.4240	0.567	6	122.1843	0.875	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2C)	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.7079	1.626	12	121.7079	2.644	12	121.7079	2.644	12	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2N)	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2N){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(NH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	120.9280	0.000	1	120.9280	0.000	1	120.9280	0.000	1	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:N[5]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C)	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C){1|O<1>,2|C<3>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5]-3:N[5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C)	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C){1|O<1>,2|C<3>}	C(N[5]C[5]N[5])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C){1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	117.8170	0.000	1	117.8170	0.000	1	117.8170	0.000	1	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C){1|O<1>,2|C<3>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	122.2990	0.000	1	122.2990	0.000	1	121.9933	0.788	3	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	122.6880	0.000	1	121.8405	1.437	2	121.9933	0.788	3	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	120.9930	0.000	1	121.8405	1.437	2	121.9933	0.788	3	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5a]-3:C[5a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.7885	0.545	2	121.7885	0.297	2	121.7885	0.297	2	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.2395	0.336	11	121.8417	0.322	36	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.1066	0.429	25	121.8417	0.322	36	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.7253	0.897	6	122.0942	0.796	26	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.3058	1.112	5	122.0942	0.796	26	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.3925	0.453	11	122.0942	0.796	26	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	121.5627	1.381	4	122.0942	0.796	26	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.2210	0.214	6	121.2210	0.046	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.8021	1.542	7	121.9622	0.649	43	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.9933	0.604	36	121.9622	0.649	43	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.8310	0.123	2	120.8310	0.015	2	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.2375	0.395	2	121.4770	0.990	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.0968	0.247	4	121.4770	0.990	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.5295	0.230	2	121.8615	0.122	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.0275	0.275	4	121.8615	0.122	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.6909	0.418	7	121.9069	0.150	21	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.0149	0.334	14	121.9069	0.150	21	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.0120	0.095	2	121.4718	0.170	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C)	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])3(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.7018	0.263	4	121.4718	0.170	6	121.8619	0.506	152	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	122.9390	0.000	1	122.9390	0.000	1	122.9390	0.000	1	121.7893	0.844	175	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[5a]-3:N[5a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C(N[5a]C[5a]N[5a])2(C[6]C[6]2)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	119.6050	22.305	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH){1|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	119.6800	6.677	2	119.6800	44.576	2	119.6800	44.576	2	119.6050	22.305	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)2(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	126.5610	2.627	4	126.5610	6.902	4	123.2749	6.423	15	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	121.9711	1.172	8	121.9711	1.374	8	123.2749	6.423	15	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	122.5955	0.237	2	122.3703	0.180	3	123.2749	6.423	15	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<1>}	121.9200	0.000	1	122.3703	0.180	3	123.2749	6.423	15	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)2(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	116.1865	1.912	4	116.1865	3.655	4	117.8441	6.008	8	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	118.7723	1.168	3	118.7723	1.364	3	117.8441	6.008	8	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	121.6900	0.000	1	121.6900	0.000	1	117.8441	6.008	8	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN)	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN)	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|O<1>,2|C<3>}	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]CH)	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	125.5450	0.000	1	125.5450	0.000	1	125.5450	0.000	1	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	117.7210	0.000	1	117.7210	0.000	1	118.5003	6.530	7	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	118.0700	2.802	2	118.0700	7.849	2	118.5003	6.530	7	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.1860	2.980	2	120.1860	8.879	2	118.5003	6.530	7	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	117.6345	3.781	2	117.6345	14.295	2	118.5003	6.530	7	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<1>}	120.8300	0.000	1	120.8300	0.000	1	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	127.1880	0.000	1	127.1880	0.000	1	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	122.9013	0.684	4	122.3017	1.664	10	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<2>}	123.6245	0.385	2	122.3017	1.664	10	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	121.0408	0.842	4	122.3017	1.664	10	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	123.0080	0.691	6	123.2189	0.709	7	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	124.4840	0.000	1	123.2189	0.709	7	122.8193	2.559	19	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	118.6300	0.000	1	118.6300	0.000	1	119.3033	1.647	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	116.5920	0.000	1	116.5920	0.000	1	119.3033	1.647	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	118.8290	1.301	2	118.8290	1.693	2	119.3033	1.647	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	120.8095	0.971	2	120.8095	0.943	2	119.3033	1.647	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	119.2822	0.734	4	119.2822	0.539	4	119.3033	1.647	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	120.0060	0.294	2	120.0060	0.087	2	119.3033	1.647	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.2245	0.084	2	120.2245	0.007	2	119.6522	0.221	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	119.2410	0.000	1	119.2410	0.000	1	119.6522	0.221	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.5790	0.000	1	119.5790	0.000	1	119.6522	0.221	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.3220	0.222	2	119.3220	0.049	2	119.6522	0.221	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(PReCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	123.5265	0.064	2	123.5265	0.004	2	123.5265	0.004	2	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN)	C(C[6]C[6]N[6])(C[5]N[5]2)(NMoCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]N[5]2)(NMoCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF)	C(C[6]C[6]N[6])2(CC3)(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CC3)(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.8935	0.251	4	121.4637	1.624	12	121.4637	1.624	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:F-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF)	C(C[6]C[6]N[6])2(CC3)(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CC3)(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.2488	0.642	8	121.4637	1.624	12	121.4637	1.624	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CCHH)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CCHH)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	120.2165	1.200	2	120.2165	1.440	2	121.3572	6.415	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	124.5422	0.496	4	124.5422	0.246	4	121.3572	6.415	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CC[6a]2H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|C<4>}	121.1210	0.007	2	121.1210	0.000	2	121.3572	6.415	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.9770	0.310	2	118.8605	0.054	4	121.3572	6.415	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CHHP)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.7440	0.112	2	118.8605	0.054	4	121.3572	6.415	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NCoCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NCoCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	126.7770	0.066	2	126.7770	0.004	2	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NFeCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NFeCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.5620	0.669	22	123.6431	0.486	24	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NFeCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NFeCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	124.5350	0.171	2	123.6431	0.486	24	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NFeCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])2(NFeCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.5745	0.872	2	120.5745	0.760	2	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NMnCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NMnCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.5773	0.395	3	122.5773	0.156	3	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NNiCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NNiCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.9030	0.000	1	123.9030	0.000	1	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2)(NPtCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	123.3850	0.000	1	123.3850	0.000	1	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6]N[6])2(NZnCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NZnCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	122.8595	0.534	2	122.8595	0.285	2	123.5107	1.623	35	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS)	C(C[6]C[6]N[6])2(SO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(SO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.8440	0.820	2	118.8440	0.673	2	119.0303	1.170	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS)	C(C[6]C[6]N[6])2(SO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(SO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.5340	0.427	2	119.1235	1.691	4	119.0303	1.170	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS)	C(C[6]C[6]N[6])2(SO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(SO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.7130	1.871	2	119.1235	1.691	4	119.0303	1.170	6	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]FeH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.2420	0.000	1	122.2420	0.000	1	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.7982	2.525	4	121.7982	6.374	4	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.8480	0.000	1	121.0080	0.051	2	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]NiH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.1680	0.000	1	121.0080	0.051	2	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.8487	0.675	3	122.8487	0.456	3	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<2>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>}	121.3950	0.000	1	121.1655	0.105	2	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.9360	0.000	1	121.1655	0.105	2	121.8607	2.336	12	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	123.6132	0.456	4	123.6132	0.208	4	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	126.9910	0.000	1	126.9910	0.000	1	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	125.1770	0.000	1	125.1770	0.000	1	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeC)(CC3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	123.0810	0.000	1	123.0810	0.000	1	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5a]Ir)(CC[6]HN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.6738	1.047	6	121.6738	1.097	6	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	126.1680	0.000	1	126.1680	0.000	1	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.1180	0.000	1	121.1180	0.000	1	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.3410	0.604	2	121.3410	0.365	2	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.6620	0.000	1	122.6620	0.000	1	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5,6]Zn)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.3710	0.354	2	121.3710	0.125	2	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.0630	0.000	1	121.4620	0.318	2	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.8610	0.000	1	121.4620	0.318	2	122.6382	3.143	22	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCoH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.5365	0.645	6	120.5365	0.416	6	120.8785	1.137	10	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(OCuH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.2095	0.333	2	121.2095	0.111	2	120.8785	1.137	10	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OFeH)(CC3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	123.3280	0.000	1	123.3280	0.000	1	120.8785	1.137	10	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ORuH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.8190	0.000	1	119.8190	0.000	1	120.8785	1.137	10	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH)	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH){1|C<3>,2|H<1>}	C(N[6]C[5,6]C[6])(C[6]C[6]N[6])(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.7321	5.864	184	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	121.4190	0.664	4	121.4190	0.440	4	121.0005	0.755	6	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)2(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	120.1635	0.595	2	120.1635	0.354	2	121.0005	0.755	6	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	123.7610	3.025	2	123.7610	9.151	2	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	121.3800	2.901	2	121.3800	8.413	2	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	122.9170	4.346	2	122.9170	18.887	2	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	121.1985	0.071	2	121.1985	0.005	2	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<2>}	118.8845	0.634	2	118.8845	0.402	2	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	121.9655	1.326	2	121.9655	1.758	2	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	120.1340	0.379	2	119.5053	1.257	3	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	118.2480	0.000	1	119.5053	1.257	3	121.2486	5.763	15	121.1777	4.236	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	123.0560	0.000	1	123.0560	0.000	1	123.0560	0.000	1	123.0560	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	122.0683	0.228	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6]MnC)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	122.0683	0.228	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CHHS)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	121.7620	0.000	1	121.7620	0.000	1	122.0995	0.228	2	122.0683	0.228	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-3:C-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(CCCO)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	122.4370	0.000	1	122.4370	0.000	1	122.0995	0.228	2	122.0683	0.228	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	120.6175	3.210	2	120.6175	10.301	2	120.6175	10.301	2	121.1423	5.977	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	121.1423	5.977	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]CH)	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	121.7145	2.733	2	121.7145	7.469	2	121.7145	7.469	2	122.1640	2.763	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6a]CH)	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	C(C[6a]C[6,6a]C[6a])(C[6]C[6]2)(CCCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	122.6135	0.111	2	122.6135	0.012	2	122.6135	0.012	2	122.1640	2.763	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH){1|C<4>,3|H<1>}	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]CO)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]CO){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]HH)(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.3347	2.467	4	121.3347	6.088	4	121.3347	6.088	4	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:C-4:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.2335	0.555	2	124.2335	0.308	2	124.2335	0.308	2	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CCHH)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CCHH)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	118.3700	0.619	4	118.3700	0.383	4	118.3700	0.383	4	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	117.0202	0.225	6	117.0202	0.051	6	118.2108	2.326	14	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CCHH)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CCHH)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.6450	0.440	2	120.6450	0.193	2	118.2108	2.326	14	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CH3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.2173	1.073	4	119.2173	1.152	4	118.2108	2.326	14	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CH3)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CH3)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	117.3355	0.629	2	117.3355	0.395	2	118.2108	2.326	14	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OCd3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OCd3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	122.9635	0.418	2	122.9635	0.175	2	122.5870	0.237	47	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OCo3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OCo3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.3299	0.485	11	122.3299	0.235	11	122.5870	0.237	47	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(OMn3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(OMn3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.6954	0.369	8	122.6954	0.136	8	122.5870	0.237	47	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO)	C(C[6]C[6]N[6])2(ONi3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(ONi3)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.6335	0.501	26	122.6335	0.251	26	122.5870	0.237	47	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OPdC)(CH3)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.4500	1.734	5	121.4500	3.005	5	121.4500	3.005	5	121.5070	4.555	77	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CCHH)(OCo2)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CCHH)(OCo2)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	125.9950	1.013	2	125.9950	1.025	2	124.7737	1.169	6	124.5737	1.058	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C(C[6]C[6]N[6])2(CCHH)(OCu2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CCHH)(OCu2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	124.1630	0.338	4	124.1630	0.114	4	124.7737	1.169	6	124.5737	1.058	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(OZn2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	123.9740	0.776	2	123.9740	0.603	2	123.9740	0.603	2	124.5737	1.058	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	122.1640	3.879	2	122.1640	15.048	2	121.6192	2.932	12	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.5102	1.354	10	121.5102	1.832	10	121.6192	2.932	12	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:As-3:Si-4:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CAsSi2)	C(C[6]C[6]N[6])(AsAlH)(SiC3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CAsSi2){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(AsAlH)(SiC3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CCHH)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(CCHH)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	122.2290	0.465	2	122.2290	0.216	2	121.2929	0.574	8	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.3095	0.152	4	121.3095	0.023	4	121.2929	0.574	8	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])2(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.1030	0.000	1	120.3235	0.097	2	121.2929	0.574	8	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6])2(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.5440	0.000	1	120.3235	0.097	2	121.2929	0.574	8	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]CN)	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]CN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(NFeCC)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.9305	0.926	2	123.9305	0.857	2	123.9305	0.857	2	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	123.1550	0.000	1	124.0080	0.407	4	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	124.2923	0.354	3	124.0080	0.407	4	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	126.8735	0.197	6	126.8735	0.039	6	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	126.1150	0.000	1	126.1150	0.000	1	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.4170	0.000	1	123.4170	0.000	1	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9320	0.000	1	120.9320	0.000	1	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NPdC)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdC)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.3000	0.000	1	122.3000	0.000	1	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NZnC)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnC)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.0660	0.345	2	121.0660	0.119	2	124.5106	5.416	16	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(OIrH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OIrH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	122.4960	0.000	1	123.2013	0.726	3	123.0832	0.290	9	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(OIrH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OIrH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	123.5540	0.840	2	123.2013	0.726	3	123.0832	0.290	9	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(ONiH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONiH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.3280	0.000	1	122.3280	0.000	1	123.0832	0.290	9	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(OPdH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OPdH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.9560	0.000	2	122.9560	0.000	2	123.0832	0.290	9	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(ORu2)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu2)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	123.1050	0.000	1	123.3017	0.040	3	123.0832	0.290	9	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(ORu2)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ORu2)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	123.4000	0.151	2	123.3017	0.040	3	123.0832	0.290	9	122.8498	4.643	48	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	2:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-2:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6,6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){2|C<3>}	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6,6a])(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	120.0220	0.000	1	120.0220	0.000	1	120.0220	0.000	1	120.0220	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	2:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-2:C[6]-3:O-2:	C[6](N[6]C[6,6a]Ru)(C[6]N[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(OC)	C[6](N[6]C[6,6a]Ru)(C[6]N[6]O)(CCHH){2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](N[6]C[6,6a])(C[6]N[6]C)(OC){1|Ru<5>,2|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>}	119.5410	0.000	1	119.5410	0.000	1	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	122.1760	0.000	1	122.1760	0.000	1	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	122.4300	0.881	2	122.4300	0.776	2	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHP)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHP)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.5890	0.000	1	121.5890	0.000	1	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.2650	0.000	1	120.2650	0.000	1	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.0600	0.000	1	121.0600	0.000	1	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	120.5240	0.000	1	120.5240	0.000	1	121.2519	1.284	8	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	124.4530	0.126	2	124.4530	0.016	2	124.4530	0.016	2	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	116.3370	0.197	2	116.3370	0.039	2	116.3370	0.039	2	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:O-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC3)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC3)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.8640	0.000	2	119.8640	0.000	2	119.8640	0.000	2	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){2|C<3>}	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CHHN){1|C<4>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	119.2555	2.577	2	119.2555	6.643	2	119.2555	6.643	2	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<5>,1|C<3>,1|H<1>}	121.3415	1.124	2	122.0752	1.142	4	122.0752	1.142	4	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	122.8090	0.093	2	122.0752	1.142	4	122.0752	1.142	4	120.9984	4.957	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:S-2:	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(SW)	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(SW){1|C<3>,2|C<4>}	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:S[6]-2:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6]C[6,6a]C)(S[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	121.3110	0.000	1	121.3110	0.000	1	121.3110	0.000	1	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	118.3520	0.000	1	119.5220	2.738	2	121.3110	6.481	4	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	120.6920	0.000	1	119.5220	2.738	2	121.3110	6.481	4	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]P[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(O[6]P[6])(CH3){1|Cl<1>,1|N<3>,2|O<1>}	121.7030	0.000	1	121.7030	0.000	1	121.3110	6.481	4	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	124.4970	0.000	1	124.4970	0.000	1	121.3110	6.481	4	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	126.7315	0.801	2	126.7315	0.642	2	126.7315	0.642	2	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:2:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-2:C-4:	C[6](N[6]C[6]Cd)(C[6]N[6]C)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN)	C[6](N[6]C[6]Cd)(C[6]N[6]C)(CHHN){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHHN){1|Cd<5>,1|C<3>,1|C<4>}	123.7100	0.000	1	123.7100	0.000	1	123.7100	0.000	1	122.9660	8.956	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN)	C(C[6]C[6,6a]C[6])(NH3)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NH3)(H)2	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>}	123.7580	0.000	1	123.7580	0.000	1	123.7580	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,3|C<3>}	115.8400	0.000	1	115.8400	0.000	1	116.6188	2.517	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	118.3305	0.217	2	118.3305	0.047	2	116.6188	2.517	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	115.2965	0.240	2	115.2965	0.057	2	116.6188	2.517	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	122.2355	0.282	2	122.2355	0.080	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	118.6105	0.108	2	118.6105	0.012	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.7865	2.684	4	119.6879	2.664	13	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	119.5100	0.000	1	119.6879	2.664	13	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2053	0.369	4	119.6879	2.664	13	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1165	0.974	4	119.6879	2.664	13	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	120.5410	1.736	6	119.2506	2.918	18	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	119.4062	0.440	4	119.2506	2.918	18	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	118.2049	1.469	8	119.2506	2.918	18	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.7920	0.000	1	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.7950	0.000	1	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.0810	0.362	4	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.4980	1.423	2	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.8520	0.000	1	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.3655	0.493	2	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.4980	0.000	1	122.9157	0.515	12	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	122.3125	0.975	2	122.3125	0.951	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.2940	1.574	2	122.2940	2.478	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	122.8380	0.000	1	122.7840	0.803	11	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.7860	0.000	1	122.7840	0.803	11	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	122.6644	1.008	8	122.7840	0.803	11	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.6850	0.000	1	122.7840	0.803	11	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.1510	0.000	1	122.1510	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2660	0.000	1	122.2660	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)2(H){1|N<3>,2|N<2>}	118.9670	2.847	2	118.9670	8.104	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.2170	1.769	2	121.2170	3.130	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.5125	0.766	4	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	120.1710	0.000	1	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.9765	2.233	4	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.9746	1.681	14	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	122.0650	0.494	4	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.2844	1.753	87	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.7516	0.661	8	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.8180	1.755	2	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.8868	1.353	4	121.4607	2.696	128	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.0412	0.606	4	121.0412	0.368	4	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.1570	0.741	2	121.5443	0.724	4	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHN)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	121.9315	1.012	2	121.5443	0.724	4	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CCHP)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHP)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	120.5590	0.000	1	120.5590	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	121.5810	0.000	1	121.5810	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	120.3030	0.000	1	120.3030	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	121.8200	0.136	2	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5194	2.444	14	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.5650	2.221	4	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.0942	1.649	73	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.1554	1.683	9	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.4800	2.417	2	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.3770	0.519	4	121.2029	3.005	108	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	121.7990	0.000	1	121.7990	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	122.1500	0.000	1	121.3612	1.444	17	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.1897	1.358	12	121.3612	1.444	17	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.8320	0.495	2	121.3612	1.444	17	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.5250	1.051	2	121.3612	1.444	17	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	119.6980	0.000	1	119.6980	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	120.8335	0.463	2	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3767	0.333	6	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.0335	0.650	2	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.8738	1.127	6	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.0484	1.169	8	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	121.8532	1.197	6	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	121.8207	1.231	6	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	121.7033	1.872	6	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.8830	0.250	2	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.5215	0.622	2	121.7108	1.208	46	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	121.9160	0.324	2	121.9160	0.105	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.6580	2.669	2	120.6580	7.122	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	120.9180	0.000	1	120.9180	0.000	1	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.3805	0.319	2	121.3805	0.102	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(CN[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CN[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5105	0.144	2	121.5105	0.021	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.8395	1.044	2	120.8395	1.091	2	121.3051	2.770	391	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){4|C<4>}	115.5660	0.000	1	115.5660	0.000	1	116.3530	2.293	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CBrHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<1>,4|C<3>}	C(C[6]C[6]2)(CBrHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	115.6900	0.000	1	115.6900	0.000	1	116.3530	2.293	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	116.0940	0.000	1	116.0940	0.000	1	116.3530	2.293	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	115.3930	0.000	1	115.3930	0.000	1	116.3530	2.293	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CCCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|O<2>,2|C<3>}	119.0220	0.000	1	119.0220	0.000	1	116.3530	2.293	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.9520	0.000	1	117.9520	0.000	1	121.1466	6.493	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.0820	0.000	1	120.0820	0.000	1	121.1466	6.493	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(COPP)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2260	0.000	1	120.2260	0.000	1	121.1466	6.493	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	123.7365	0.610	2	123.7365	0.372	2	121.1466	6.493	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	120.7810	0.494	2	120.7810	0.244	2	117.9970	10.151	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	119.0505	0.781	2	119.0505	0.611	2	117.9970	10.151	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	116.1150	0.000	1	116.1150	0.000	1	117.9970	10.151	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	115.1005	4.692	2	115.1005	22.012	2	117.9970	10.151	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.8210	0.000	1	116.2880	0.436	2	116.2880	0.436	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7550	0.000	1	116.2880	0.436	2	116.2880	0.436	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH){1|Pt<4>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6,6a]Pt)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	119.5160	1.465	2	119.5160	2.147	2	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.5500	0.000	1	120.5500	0.000	1	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.0970	0.000	1	121.0970	0.000	1	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.8265	0.749	2	119.3953	0.359	6	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.6797	0.296	4	119.3953	0.359	6	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.8275	2.587	2	119.8275	6.694	2	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.0120	0.000	1	119.0120	0.000	1	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.6490	0.000	1	120.2353	0.294	3	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.5285	0.269	2	120.2353	0.294	3	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3030	1.037	2	119.3030	1.075	2	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9120	0.000	1	120.9120	0.000	1	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.8769	1.007	9	120.8769	1.014	9	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.9520	0.000	1	118.9520	0.000	1	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.5250	0.000	1	120.5250	0.000	1	120.1104	1.225	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	114.1450	0.000	1	114.1450	0.000	1	114.4500	0.186	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	114.7550	0.000	1	114.7550	0.000	1	114.4500	0.186	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC3)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC3)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	120.8930	0.000	2	120.8930	0.000	2	120.9810	0.851	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CH3)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.0690	1.588	2	121.0690	2.522	2	120.9810	0.851	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Ge-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CGeHH)	C(C[6]C[6]2)(GeC3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CGeHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(GeC3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.6955	0.005	2	121.6955	0.000	2	121.6955	0.000	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|H<1>,4|C<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4890	0.000	1	119.4890	0.000	1	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.6030	0.000	1	119.6030	0.000	1	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.7685	1.773	2	120.7685	3.143	2	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){2|Cl<1>,1|C<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	118.8470	0.000	1	118.8470	0.000	1	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ag<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	123.5100	0.800	2	123.5100	0.641	2	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.8280	0.000	1	121.3599	0.699	9	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.3014	0.874	8	121.3599	0.699	9	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.4780	1.134	2	121.4780	1.286	2	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2947	0.717	8	122.2947	0.515	8	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.1138	2.314	4	120.1138	5.353	4	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.5990	0.000	1	122.5990	0.000	1	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.6645	1.621	2	119.8197	19.515	15	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.6897	4.734	13	119.8197	19.515	15	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.5090	1.198	6	120.7968	0.988	16	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	120.9695	0.873	10	120.7968	0.988	16	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|C<4>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	120.0300	0.864	2	120.0300	0.747	2	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.9108	3.130	6	120.9108	9.799	6	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCoHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	121.3720	3.558	2	121.3720	12.661	2	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.6171	3.445	24	120.6171	11.869	24	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C(C[6]C[6]2)(NZnCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NZnCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.5685	0.526	4	121.5685	0.276	4	120.8250	7.297	100	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.6440	0.000	1	119.0860	1.142	3	119.2177	0.831	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.8070	1.348	2	119.0860	1.142	3	119.2177	0.831	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){2|Cl<1>,1|C<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	119.6130	0.000	1	119.6130	0.000	1	119.2177	0.831	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NC3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9230	0.000	1	119.9230	0.000	1	121.4357	17.059	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.1665	0.540	2	122.1665	0.291	2	121.4357	17.059	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6038	0.724	8	119.6038	0.524	8	121.4357	17.059	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]HH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.4150	2.242	4	121.4150	5.026	4	121.4357	17.059	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5825	1.677	2	121.5825	2.811	2	121.4357	17.059	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NH3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.5507	5.961	13	122.5507	35.539	13	121.4357	17.059	30	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NAgCC)(H)2	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ag<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NAgCC)(H)2	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.3825	1.098	2	119.3825	1.206	2	120.3580	0.888	11	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.7249	0.730	8	120.7249	0.533	8	120.3580	0.888	11	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C(C[6]C[6]2)(NCoHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCoHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.3740	0.000	1	119.3740	0.000	1	120.3580	0.888	11	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.9160	0.000	1	121.9160	0.000	1	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PC[6a]3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|N<3>,2|H<1>}	C(C[6]C[6]2)(PC[6a]3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.2705	1.279	2	121.2705	1.636	2	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.8755	0.319	2	121.0383	0.148	6	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	120.7755	0.170	2	121.0383	0.148	6	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.4640	0.236	2	121.0383	0.148	6	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	119.9125	0.083	2	119.9125	0.007	2	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	121.9005	0.267	2	121.7883	0.083	4	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	121.6760	0.358	2	121.7883	0.083	4	121.1777	0.572	15	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(PO3)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSiHH)	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSiHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.8127	0.595	4	121.8127	0.354	4	121.8127	0.354	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(BC[6a]2N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	120.6020	0.000	1	120.6020	0.000	1	121.3113	9.414	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C(C[6]C[6]N[6])(BN[6]CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(BN[6]CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	119.4040	0.020	2	119.4040	0.000	2	121.3113	9.414	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.8350	0.000	1	125.8350	0.000	1	121.3113	9.414	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH){2|C<3>,2|O<1>}	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	124.5880	0.000	1	124.5880	0.000	1	124.5880	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(Br){1|C<4>,2|C<3>}	122.4810	0.091	2	122.4810	0.008	2	122.4810	0.008	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	117.4390	0.000	1	117.4390	0.000	1	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.4910	0.000	1	120.4910	0.000	1	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.2147	1.952	3	122.2147	3.812	3	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.8690	0.000	1	123.8690	0.000	1	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	125.8827	0.710	12	125.7426	0.571	17	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	125.0545	0.321	4	125.7426	0.571	17	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	126.8140	0.000	1	125.7426	0.571	17	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]N[6]C)(C[6]O[6]O)(H){1|C<4>,1|H<1>}	124.7890	0.000	1	124.7890	0.000	1	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.3680	0.000	1	123.3680	0.000	1	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.9795	0.276	2	123.7303	1.729	3	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.2320	0.000	1	123.7303	1.729	3	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.8445	0.101	2	122.8445	0.010	2	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	126.9850	0.000	1	126.4727	1.870	3	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	127.5100	0.000	1	126.4727	1.870	3	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.9230	0.000	1	126.4727	1.870	3	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	126.1100	0.171	2	125.9286	0.090	5	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	125.8077	0.331	3	125.9286	0.090	5	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.9213	1.310	10	123.9213	1.717	10	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.4210	0.000	1	125.4210	0.000	1	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.1990	0.195	2	124.1990	0.038	2	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	125.4210	2.052	2	125.4210	4.211	2	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	122.8705	0.320	2	122.8705	0.103	2	124.5415	3.596	55	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Ge-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH)	C(C[6]C[6]N[6])(GeC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(GeC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.9120	0.000	1	121.9120	0.000	1	121.9120	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	121.7620	0.000	1	123.6230	6.927	2	123.6230	6.927	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(CHHN){3|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	125.4840	0.000	1	123.6230	6.927	2	123.6230	6.927	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	122.2020	0.000	1	122.2020	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.1780	0.000	1	121.1780	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	126.6590	0.000	1	126.6590	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.2090	0.000	1	124.2090	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.2710	0.000	1	125.2710	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.9518	1.079	23	123.9518	1.165	23	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.6200	0.000	1	123.6200	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.2980	0.000	1	124.2980	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	122.9870	0.000	1	122.9870	0.000	1	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C(C[6]C[6]N[6])(NCCV)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCCV)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	121.4816	1.356	14	121.7345	1.950	20	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C(C[6]C[6]N[6])(NCCV)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCCV)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<7>}	122.3248	1.425	6	121.7345	1.950	20	123.0589	2.828	51	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(N[6]C[6]Fe)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H)	C[6](C[6]C[3x6]H)(N[6]C[6]Fe)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,2|C<4>,2|H<1>}	121.6418	1.395	4	121.6418	1.945	4	121.6418	1.945	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Mn)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]Mn)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Mn<6>,1|H<1>,3|C<3>}	122.4615	0.743	2	122.4615	0.552	2	122.4615	0.552	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.7630	0.000	1	123.7630	0.000	1	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.5980	0.000	1	123.5980	0.000	1	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.4355	0.015	2	123.3443	0.025	3	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.1620	0.000	1	123.3443	0.025	3	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PO3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.7670	0.000	1	123.7670	0.000	1	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP)	C(C[6]C[6]N[6])(PCCW)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCCW)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<6>}	121.1640	0.413	2	121.1640	0.171	2	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2W)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2W)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<9>}	118.0252	0.621	4	118.0252	0.386	4	121.2992	6.753	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:S-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS)	C(C[6]C[6]N[6])(SC[6a]OO)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS){2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SC[6a]OO)(H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H){1|C<4>,1|S<4>,3|C<3>}	123.6260	0.000	1	123.6260	0.000	1	123.6260	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH)	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.7840	0.000	1	121.7840	0.000	1	121.7840	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(CCCH)(H)2	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(CCCH)(H)2	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	127.5705	0.771	2	127.5705	0.595	2	127.2930	0.529	3	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(CH3)(H)2	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(CH3)(H)2	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	126.7380	0.000	1	126.7380	0.000	1	127.2930	0.529	3	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:As-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CAsHH)	C(C[6]C[6]N[6])(AsMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CAsHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(AsMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.1098	0.988	8	120.1098	0.977	8	120.3734	0.788	14	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:As-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CAsHH)	C(C[6]C[6]N[6])(AsRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CAsHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(AsRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.7248	0.649	6	120.7248	0.422	6	120.3734	0.788	14	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	121.5690	0.000	1	121.5690	0.000	1	121.6068	0.374	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	120.8440	0.000	1	120.8440	0.000	1	121.6068	0.374	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:B-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH)	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(BC[6a]3)(H)2	C[6](C[6]N[6]C)2(H){1|Si<3>,2|C<3>}	122.0070	0.468	2	122.0070	0.219	2	121.6068	0.374	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH){2|O<1>,4|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	124.9200	0.000	1	124.9200	0.000	1	124.9200	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<4>,2|C<3>}	120.3740	0.888	4	120.3740	0.789	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	118.7580	0.000	1	118.7580	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	117.2710	0.000	1	117.2710	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cr<6>,2|C<3>}	116.1000	0.000	1	116.1000	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	120.0747	0.668	8	120.0747	0.447	8	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	123.0495	0.329	4	123.0495	0.108	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	119.5225	0.006	2	119.5225	0.000	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<4>,2|C<3>}	117.6590	0.000	1	117.6590	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	124.7440	0.000	1	124.7440	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	123.3360	0.000	1	123.3360	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC3)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC3)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<8>,2|C<3>}	121.1670	0.000	1	121.1670	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	121.4925	1.334	2	121.4925	1.780	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH){3|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ni<3>,4|C<3>}	122.7040	2.133	2	122.7040	4.548	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	120.6895	0.177	2	120.6895	0.032	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.7535	1.180	2	120.7535	1.393	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.1520	0.877	2	119.1520	0.769	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.9217	0.650	3	120.5613	2.865	26	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.7347	1.873	4	120.5613	2.865	26	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.4713	1.592	15	120.5613	2.865	26	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	119.7050	2.312	4	120.5613	2.865	26	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.5796	0.757	5	120.5796	0.573	5	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.9140	1.003	2	119.9140	1.005	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	119.6390	1.151	3	119.6390	1.324	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<9>,1|C<3>,1|H<1>}	119.0390	0.000	1	119.0390	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<9>,1|C<3>,1|H<1>}	119.9060	0.000	1	119.9060	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.5135	0.395	2	119.5135	0.156	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.1980	0.000	1	120.1980	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.2360	0.823	2	121.2360	0.677	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.9005	0.961	2	120.9005	0.923	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.9635	0.483	4	120.9635	0.233	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.3900	0.000	1	119.3900	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.6330	0.000	1	120.6330	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.1305	0.395	4	121.1381	1.783	55	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	122.0565	0.076	2	121.1381	1.783	55	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.8346	1.006	11	121.1381	1.783	55	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.5916	1.602	17	121.1381	1.783	55	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.0343	1.307	21	121.1381	1.783	55	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	120.8645	1.269	2	120.5623	1.079	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.9580	0.000	1	120.5623	1.079	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.0100	0.103	2	120.7978	0.763	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.5855	1.449	2	120.7978	0.763	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.3670	0.000	1	121.9473	0.174	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.7375	0.289	2	121.9473	0.174	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.5390	0.164	2	120.5390	0.027	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.5852	0.629	6	121.6491	0.327	8	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.8410	0.465	2	121.6491	0.327	8	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.4970	0.471	2	119.4970	0.222	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.2490	0.103	2	120.4258	1.004	5	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.3175	0.554	2	120.4258	1.004	5	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9960	0.000	1	120.4258	1.004	5	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.3260	2.102	5	120.0772	1.907	19	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.9884	1.118	14	120.0772	1.907	19	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.7220	0.000	1	121.7220	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	121.3760	0.000	1	121.3760	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	122.0050	0.021	2	122.0050	0.000	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	122.0630	0.000	1	122.0630	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	120.2890	0.591	2	120.2890	0.349	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	121.8270	0.000	1	120.7717	1.844	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.4200	1.423	3	120.7717	1.844	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.1130	0.000	1	121.1130	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	119.3650	0.000	1	119.3650	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	118.9383	0.512	3	118.9383	0.262	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.1620	0.000	1	120.8504	0.553	9	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.6865	0.596	8	120.8504	0.553	9	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.3825	0.630	2	121.3825	0.397	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.4818	1.668	5	121.0894	2.107	49	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.4343	1.111	15	121.0894	2.107	49	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.2311	1.168	15	121.0894	2.107	49	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	120.4279	1.853	14	121.0894	2.107	49	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.7488	0.612	19	120.7488	0.374	19	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.6560	0.000	1	120.3520	0.969	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.0480	0.000	1	120.3520	0.969	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.3540	0.641	2	119.3540	0.410	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CN[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.0550	0.000	1	119.0550	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.7700	0.492	2	119.7700	0.242	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.1035	0.135	2	120.1863	0.030	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.3520	0.000	1	120.1863	0.030	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.0265	1.448	4	121.0265	2.098	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.0850	0.188	2	122.0850	0.035	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.3650	1.490	3	120.3650	2.219	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.6550	0.000	1	122.6550	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.4124	1.012	5	123.4124	1.025	5	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9160	3.801	2	121.3737	7.854	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	122.2890	0.000	1	121.3737	7.854	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHP)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.1684	1.082	8	121.1684	1.172	8	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.8410	0.000	1	121.8410	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.5550	0.000	1	117.5550	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]HH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.4052	2.699	9	121.4052	7.287	9	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6]PtH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]PtH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	122.6520	0.000	1	122.6520	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.5307	1.612	3	121.5307	2.600	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.8340	0.000	1	122.8340	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.8285	0.774	2	120.8285	0.600	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	120.1350	0.206	2	120.1350	0.043	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.3470	0.000	1	120.3470	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[5]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[5]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.1900	0.000	1	121.1900	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.7117	0.502	8	120.1108	0.610	20	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7102	0.675	12	120.1108	0.610	20	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]HO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.5240	0.393	2	120.5240	0.155	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7324	1.993	14	119.7485	3.692	15	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	119.9750	0.000	1	119.7485	3.692	15	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.8857	0.387	3	120.8857	0.149	3	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.8770	1.845	5	119.8770	3.402	5	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CRuHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CRuHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	122.8900	0.000	1	122.8900	0.000	1	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<10>,1|C<3>,1|H<1>}	120.8975	0.651	2	120.8975	0.424	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]2S)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.3785	0.575	2	121.3785	0.330	2	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.8425	0.099	4	120.8425	0.010	4	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.7489	1.150	13	120.9162	1.205	16	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.5875	0.508	2	120.9162	1.205	16	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.7480	0.000	1	120.9162	1.205	16	120.7706	2.088	411	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[4]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[4]HH)	C(C[6]C[6]N[6])(C[4]C[4]2Os)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[4]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[4]C[4]2Os)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	119.9860	0.000	1	119.9860	0.000	1	120.9210	1.156	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CC[5]HH)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	121.1340	0.000	1	121.1340	0.000	1	120.9210	1.156	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[5]HH)	C(C[6]C[6]N[6])(C[5]C[5]2Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]C[5]2Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	121.3627	1.243	3	121.3627	1.545	3	120.9210	1.156	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH)	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.6195	1.469	2	120.6195	2.157	2	120.9210	1.156	7	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.9360	0.000	1	119.9360	0.000	1	120.8114	0.491	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])(C[6]C[6]2Cr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2Cr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<9>,1|C<3>,1|H<1>}	121.0480	0.000	1	121.0480	0.000	1	120.8114	0.491	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.7070	0.000	1	120.7070	0.000	1	120.8114	0.491	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6])(C[6]C[6]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6]C[6]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.1830	0.925	2	121.1830	0.855	2	120.8114	0.491	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[3x6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[3x6]H)(C[6]N[6]C)(H)	C[6](N[6]C[3x6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[3x6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|C<4>}	122.3320	0.700	4	122.3320	0.490	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	119.8867	0.408	3	119.8445	0.118	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.7180	0.000	1	119.8445	0.118	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	121.1790	0.283	2	121.4580	0.274	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	122.0160	0.000	1	121.4580	0.274	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|C<4>}	124.4450	0.300	2	124.4450	0.090	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NBaCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NBaCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ba<11>,2|C<3>}	118.4810	0.000	1	118.4810	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]CdC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]CdC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	120.2465	1.204	2	120.2465	1.450	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]CdC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	116.9370	4.306	2	116.9370	18.544	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	118.9987	1.118	11	118.9987	1.250	11	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	119.6640	0.035	2	120.9907	5.281	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	123.6440	0.000	1	120.9907	5.281	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	119.6035	0.664	2	120.5005	4.022	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	120.7329	2.183	15	120.5005	4.022	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	119.6540	1.178	2	120.5005	4.022	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	118.8152	2.363	19	118.8152	5.584	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Hg<6>,2|C<3>}	119.6460	0.000	1	119.6460	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<5>,2|C<3>}	119.5410	1.686	2	119.2726	1.899	17	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	119.2368	1.399	15	119.2726	1.899	17	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	119.2860	1.223	2	119.2860	1.496	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	120.6540	0.000	1	120.6540	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<6>,2|C<3>}	120.6410	0.000	1	120.6410	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	117.9493	1.768	9	117.9493	3.126	9	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	118.6721	0.639	7	118.9953	1.157	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	119.2467	1.304	9	118.9953	1.157	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	122.2330	0.000	1	122.9280	0.603	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]CdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	123.2755	0.694	2	122.9280	0.603	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]CdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	121.4140	0.000	1	121.4140	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.9453	0.313	3	120.7786	0.450	9	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.4143	1.127	3	120.7786	0.450	9	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<7>,1|C<3>,1|H<1>}	120.9760	0.367	3	120.7786	0.450	9	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCdCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCdCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	122.5655	0.211	2	122.5655	0.045	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]CoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]CoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.7970	0.000	1	123.7970	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]CoC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.5920	0.242	2	123.5920	0.058	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.3780	0.000	1	121.5700	0.074	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.7620	0.000	1	121.5700	0.074	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.3940	0.000	1	120.3940	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	121.1470	0.878	5	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.3151	2.535	55	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	120.1830	0.000	1	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	122.2880	0.000	1	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.9707	0.636	9	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	121.0450	0.445	2	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	122.4793	0.813	39	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.0257	1.514	151	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	124.1340	1.295	5	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.8087	1.093	3	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	125.3510	0.000	1	122.8801	3.103	272	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.1260	0.000	1	122.1260	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	123.6580	0.000	1	123.6580	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	122.5025	0.960	2	124.0245	3.515	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	126.6923	0.303	8	124.0245	3.515	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	123.2480	0.760	3	124.0245	3.515	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.9151	0.864	19	124.0245	3.515	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCoCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	126.5805	0.011	2	124.0245	3.515	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	126.4232	1.653	4	124.7036	4.660	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCoHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.9840	0.505	4	124.7036	4.660	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	122.8088	0.817	11	123.0478	1.292	12	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	125.6760	0.000	1	123.0478	1.292	12	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCrHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCrHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	121.6555	1.385	4	122.0468	1.599	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.8295	0.630	2	122.0468	1.599	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.0605	2.075	2	121.3626	3.088	36	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.6619	1.343	18	121.3626	3.088	36	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]CuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.3136	1.759	16	121.3626	3.088	36	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	121.3420	0.066	2	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.5989	1.095	40	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.4365	1.885	17	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.7920	0.957	2	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.2514	0.806	5	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.4516	0.726	11	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.8462	0.849	5	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.7315	1.030	36	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|C<4>}	124.1960	0.000	1	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.6380	1.086	222	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.0607	1.863	4	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.1177	1.208	9	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	124.6590	0.000	1	122.2767	1.558	355	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.2850	0.841	2	120.2850	0.708	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.3924	1.830	8	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|O<2>}	125.9570	0.000	1	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	124.4970	0.000	1	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.0760	0.000	1	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.3760	0.588	3	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.6500	0.000	1	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	126.3120	0.000	1	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.9300	1.145	3	123.3447	2.927	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.3285	0.117	2	121.3285	0.014	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.5837	0.532	8	122.5424	0.205	11	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NCuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	122.4320	0.095	3	122.5424	0.205	11	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NEuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NEuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<13>,1|C<3>,1|H<1>}	121.3650	0.260	2	121.2275	0.179	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NEuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NEuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<9>,1|C<3>,1|H<1>}	121.0900	0.626	2	121.2275	0.179	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.1295	0.822	4	122.8865	6.239	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	122.1900	0.813	2	122.8865	6.239	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.6185	0.465	6	122.8865	6.239	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	126.8937	0.935	4	122.8865	6.239	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]FeC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.7550	1.066	2	121.7550	1.137	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	123.9605	0.045	2	121.3265	4.235	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]FeH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.0095	0.346	4	121.3265	4.235	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.5120	0.000	1	121.4387	1.654	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.0130	0.000	1	121.4387	1.654	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.7910	0.000	1	121.4387	1.654	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.1180	0.000	1	121.1180	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.8400	0.000	1	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.8130	0.000	1	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.9435	0.173	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.9604	0.907	5	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.3759	1.988	61	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	124.2221	0.848	8	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	122.5205	0.056	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.1794	0.778	5	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.3250	0.000	1	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.2603	0.282	3	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.7690	0.956	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	122.0238	0.653	15	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<2>,1|C<3>}	121.7650	1.120	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	122.7675	1.203	11	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.1388	1.122	592	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	122.7720	0.761	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	120.9254	1.473	10	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	122.3375	0.237	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.4403	0.310	4	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.2130	0.417	4	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.7061	2.176	8	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	122.8070	0.109	2	122.0707	1.609	743	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.3125	0.513	2	121.3125	0.263	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.1460	0.240	2	123.1460	0.058	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]N[6]C)2(H){2|Fe<6>,1|C<3>}	121.3950	0.402	4	121.3950	0.161	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	124.6960	0.000	1	124.6960	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	124.2740	0.000	1	124.2740	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	121.9270	0.905	2	122.5449	1.501	62	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	124.0648	0.792	13	122.5449	1.501	62	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|Fe<6>,1|C<3>}	122.9900	1.122	6	122.5449	1.501	62	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	123.1150	0.000	1	122.5449	1.501	62	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.0323	0.906	39	122.5449	1.501	62	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	120.7740	0.000	1	122.5449	1.501	62	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	124.5399	0.893	13	122.3202	1.986	67	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NFeHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.7858	0.891	54	122.3202	1.986	67	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]HgH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]HgH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	122.0530	0.000	1	122.0530	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NHgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	121.0700	1.151	2	121.0700	1.325	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIr2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NIr2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.3885	1.537	2	121.1223	2.796	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIr2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NIr2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	122.5900	0.000	1	121.1223	2.796	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	121.5104	1.986	9	121.1124	3.392	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.2270	0.899	20	121.1124	3.392	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	122.3328	0.931	4	121.1124	3.392	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	125.7350	0.141	2	121.1124	3.392	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	120.3580	0.957	2	122.4042	4.823	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	122.1280	0.000	1	122.4042	4.823	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NIrCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	124.5885	0.620	2	122.4042	4.823	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NIrHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NIrHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	122.8870	2.336	2	122.8870	5.458	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	122.2145	0.515	2	121.5959	0.784	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	120.4540	0.000	1	121.5959	0.784	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NLiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	121.5720	0.888	4	121.5959	0.784	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	121.9938	0.380	4	121.9938	0.144	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.4107	0.900	4	121.0816	1.088	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	120.7525	1.200	4	121.0816	1.088	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]MnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]MnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.6110	0.000	1	121.6110	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	121.7230	0.607	2	121.0617	1.496	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]MnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.7390	0.000	1	121.0617	1.496	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]MnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]MnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.2915	0.381	2	120.2915	0.145	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMn2H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMn2H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.2030	0.000	1	123.2030	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.8432	2.480	16	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	123.9591	1.228	8	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.6820	0.000	1	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.2270	0.000	1	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.3520	1.052	2	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	122.0393	0.692	10	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.7862	1.150	150	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	121.0353	1.105	30	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	123.6800	0.000	1	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.1433	0.743	3	121.7535	1.853	222	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.9543	1.285	6	122.5106	1.663	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	123.5900	1.202	12	122.5106	1.663	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.8327	0.716	16	122.5106	1.663	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NMnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.7420	0.000	1	122.5106	1.663	35	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMnCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.8152	0.952	4	120.8152	0.907	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.9720	0.000	1	120.9720	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.0267	0.986	7	122.0267	0.973	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]NiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]NiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.9749	0.694	9	121.9749	0.482	9	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]NiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]NiC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.3863	1.321	11	121.3863	1.744	11	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	123.1580	0.953	2	122.8172	0.712	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.3190	0.000	1	122.8172	0.712	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]NiH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.2255	0.869	2	122.8172	0.712	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNi2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNi2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.5310	1.544	2	121.5310	2.385	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.7200	1.397	4	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.8130	1.418	4	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.9203	2.394	43	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	120.4065	0.285	2	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.4280	0.000	1	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.4309	1.647	13	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	124.2310	0.000	1	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.9890	0.899	11	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.8773	1.222	119	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	123.2410	0.000	1	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	123.0785	0.418	2	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.0079	1.109	8	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.6360	1.000	8	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	120.8310	0.071	2	121.7318	2.628	219	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	124.6078	0.875	38	123.8477	2.062	60	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	124.3235	0.942	4	123.8477	2.062	60	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.0115	0.802	17	123.8477	2.062	60	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	124.2720	0.000	1	123.8477	2.062	60	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(NNiCH)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.4720	0.024	2	123.4720	0.001	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.9223	0.195	3	123.0382	1.485	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.7120	0.000	2	123.0382	1.485	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	126.7085	0.829	16	126.0826	2.881	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NOsCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	122.7447	0.964	3	126.0826	2.881	19	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NOsCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NOsCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	123.4365	0.955	2	123.4365	0.913	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	128.2940	0.252	2	123.7922	13.488	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9363	1.045	3	123.7922	13.488	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]PdH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.3560	0.000	1	123.7922	13.488	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	122.4106	1.856	25	122.6381	2.591	38	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.0755	0.885	13	122.6381	2.591	38	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPdCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.0637	0.372	3	122.0637	0.139	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.4780	0.000	1	122.1528	0.132	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]PtH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	122.0878	0.365	5	122.1528	0.132	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.7689	0.789	9	122.7575	0.893	11	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	122.7065	1.985	2	122.7575	0.893	11	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.7945	0.231	2	122.7945	0.053	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	126.5560	0.567	2	124.6984	3.317	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.9210	0.000	1	124.6984	3.317	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	123.7295	1.005	2	124.6984	3.317	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]ReH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]ReH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	123.2590	0.000	1	123.2590	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	124.2840	0.000	1	121.7979	1.397	36	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.7249	1.123	33	121.7979	1.397	36	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	121.7605	1.474	2	121.7979	1.397	36	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NReCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	122.4304	0.912	5	122.4304	0.832	5	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NReCS)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.8445	1.672	6	121.8445	2.796	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NReHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NReHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	122.2655	0.103	2	122.2655	0.011	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]RhH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]RhH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	122.9550	0.477	2	122.9550	0.227	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	123.0858	1.558	4	123.3422	2.591	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	122.6880	0.000	1	123.3422	2.591	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	126.0110	0.041	2	123.3422	2.591	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	122.3110	0.672	7	123.3422	2.591	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	125.1225	0.401	2	123.3422	2.591	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	120.1620	0.000	1	122.2203	9.068	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	120.9105	1.722	4	122.2203	9.068	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRhCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	125.8690	2.790	2	122.2203	9.068	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[5,6]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5,6]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	122.3785	0.924	2	122.3785	0.854	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]RuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]RuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.3245	0.134	2	123.3245	0.018	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]RuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]RuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.4785	0.366	2	121.4785	0.134	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.7620	0.281	2	122.5267	2.546	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.4380	0.000	1	122.5267	2.546	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]RuH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.1450	0.000	1	122.5267	2.546	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	124.1740	1.247	9	122.7574	2.878	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.0641	1.282	24	122.7574	2.878	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	126.6470	0.000	1	122.7574	2.878	34	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	124.2573	0.534	3	123.0302	1.119	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.2820	0.100	4	123.0302	1.119	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	122.3420	0.000	1	123.0302	1.119	8	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.1472	0.538	4	122.9570	1.249	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	123.5640	0.000	1	122.9570	1.249	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NRuHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	124.2730	0.414	2	122.9570	1.249	7	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]Sn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Sn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	122.4415	0.653	2	122.4415	0.426	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NTcCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NTcCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Tc<7>,1|C<3>,1|H<1>}	123.1347	0.951	4	123.1347	0.905	4	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NTcCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NTcCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Tc<6>,1|C<3>,1|H<1>}	121.2595	0.336	2	121.2595	0.113	2	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NYbCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NYbCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<13>,1|C<3>,1|H<1>}	122.5693	1.309	6	122.5693	1.713	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]ZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]ZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.4323	0.802	3	121.4323	0.642	3	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6]ZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]ZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.3360	0.000	1	120.3360	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.4240	1.327	2	122.4508	0.877	12	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]ZnC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	122.6561	0.771	10	122.4508	0.877	12	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	122.6767	0.344	4	122.3087	0.419	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]ZnH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.5725	0.339	2	122.3087	0.419	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NSiZn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NSiZn2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.0040	0.000	1	121.0040	0.000	1	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZn2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZn2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.5204	0.874	14	122.4202	0.773	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZn2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZn2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.7185	0.743	2	122.4202	0.773	16	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.3770	0.841	2	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.2663	0.974	3	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.2783	0.854	18	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	122.1910	0.038	2	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.8175	0.681	4	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.4495	1.375	2	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.9536	0.837	84	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.5140	1.101	46	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.6974	0.668	8	121.6653	0.982	169	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|O<2>}	124.5160	0.387	2	122.2941	1.358	27	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	123.7763	0.398	4	122.2941	1.358	27	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.5920	1.032	2	122.2941	1.358	27	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.8289	0.894	7	122.2941	1.358	27	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.8635	0.683	11	122.2941	1.358	27	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.3200	0.000	1	122.2941	1.358	27	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	122.8317	1.039	3	122.0097	1.288	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.7990	0.000	1	122.0097	1.288	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.3820	0.000	2	122.0097	1.288	6	122.1392	2.697	2949	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[3]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[3]HH)	C(C[6]C[6]N[6])(N[3]C[3]2Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[3]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[3]C[3]2Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.2157	0.642	4	123.2157	0.413	4	123.2157	0.413	4	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	101.9420	0.000	1	101.9420	0.000	1	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	125.4732	3.412	5	125.4732	11.642	5	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	124.7155	0.685	2	124.7155	0.469	2	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	122.2446	1.058	5	122.6353	1.903	21	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	123.1568	0.562	4	122.6353	1.903	21	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	123.6137	0.630	3	122.6353	1.903	21	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.6574	1.093	7	122.6353	1.903	21	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|Si<4>,1|C<3>}	122.7750	0.000	1	122.6353	1.903	21	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	126.2740	0.000	1	122.6353	1.903	21	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.6645	0.630	2	120.6645	0.397	2	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mg)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Mg)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	123.7750	0.000	1	123.7750	0.000	1	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.9030	0.605	2	121.6467	0.954	4	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	122.3905	0.531	2	121.6467	0.954	4	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.0127	0.348	3	122.0127	0.121	3	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	124.6690	0.617	2	124.6690	0.380	2	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.7283	0.514	3	122.7283	0.264	3	122.4848	13.677	44	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	124.3910	0.167	2	123.4840	2.482	3	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Co)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	121.6700	0.000	1	123.4840	2.482	3	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.0990	1.153	3	121.0990	1.329	3	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.7330	0.544	4	121.8383	3.697	10	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.9830	1.328	2	121.8383	3.697	10	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.4077	1.553	3	121.8383	3.697	10	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(N[6]C[6]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	126.2620	0.000	1	121.8383	3.697	10	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	121.9820	1.294	2	121.6993	0.693	4	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	121.4165	0.293	2	121.6993	0.693	4	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[6]C[6]2Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.8890	0.000	1	119.8890	0.000	1	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.0990	0.000	1	122.6880	0.313	5	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	122.9580	0.000	1	122.6880	0.313	5	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(N[6]C[6]2Zn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.7943	0.632	3	122.6880	0.313	5	122.0099	2.428	26	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OCo3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OCo3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	122.0250	0.826	4	122.0250	0.682	4	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OFe3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OFe3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.7740	0.021	2	121.7740	0.000	2	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(OMn3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMn3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.7740	0.000	1	120.7740	0.000	1	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.1220	0.000	1	122.1220	0.000	1	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.9899	1.436	10	121.5739	2.934	25	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|Ni<6>,1|C<3>}	123.0973	0.973	6	121.5739	2.934	25	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	122.2635	0.705	2	121.5739	2.934	25	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	122.3340	0.661	7	121.5739	2.934	25	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(ONi3)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.3915	0.232	4	121.3915	0.054	4	121.6070	2.071	37	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP){2|O<1>,4|C<3>}	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	124.1980	0.990	2	124.1980	0.980	2	124.1980	0.980	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	118.1745	0.817	4	118.1745	0.668	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	124.2810	0.047	2	124.7915	0.372	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Co)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	125.3020	0.269	2	124.7915	0.372	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	122.2320	3.165	2	122.2320	10.017	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	125.2867	0.368	4	124.7066	0.912	8	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	124.1265	1.046	4	124.7066	0.912	8	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	125.0480	1.712	5	125.2503	2.170	7	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Fe)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	125.7560	0.761	2	125.2503	2.170	7	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	121.9781	1.797	7	121.9781	3.229	7	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<4>,2|C<3>}	123.7687	0.067	3	122.1133	10.965	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<6>,2|C<3>}	117.1470	0.000	1	122.1133	10.965	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	120.8147	0.113	3	120.8147	0.013	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<5>,2|C<3>}	121.0090	0.000	1	120.1883	0.801	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<8>,2|C<3>}	119.2340	0.000	1	120.1883	0.801	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	120.3220	0.000	1	120.1883	0.801	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PAgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PAgCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	122.8265	0.234	2	122.8265	0.055	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|B<3>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|O<2>}	124.2048	0.476	4	123.6907	0.803	6	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|B<3>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>,2|O<2>}	122.6625	0.407	2	123.6907	0.803	6	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	121.7686	1.440	12	122.0184	1.308	32	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	122.3463	0.781	10	122.0184	1.308	32	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	121.7140	0.617	6	122.0184	1.308	32	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	122.4045	1.565	4	122.0184	1.308	32	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(PCoCC)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>,2|C<4>}	122.0775	0.337	2	122.0775	0.114	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Cr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Cr)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	120.2190	1.719	4	120.2190	2.956	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]CrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]CrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.8093	0.738	12	119.8093	0.544	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.9215	1.216	2	119.4660	1.361	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PCrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	118.5550	0.000	1	119.4660	1.361	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Cu)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	124.0825	0.444	4	124.0825	0.197	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	123.0750	0.018	2	121.4502	1.697	6	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PCuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.6377	0.434	4	121.4502	1.697	6	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.8874	0.597	5	121.6024	0.872	16	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.2215	0.676	4	121.6024	0.872	16	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.1545	0.664	4	121.6024	0.872	16	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.5660	0.801	3	121.6024	0.872	16	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.3405	0.103	2	120.7167	0.193	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Ir)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.0930	0.031	2	120.7167	0.193	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]IrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]IrC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	121.8974	1.129	7	121.8974	1.275	7	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	121.0633	0.689	4	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	121.3101	0.797	8	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.2579	0.598	19	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	120.7940	0.000	1	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	121.2530	0.000	1	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	120.2410	0.000	1	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	121.5200	0.000	1	121.2126	0.404	35	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(PIrCC)(H)2	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	121.2095	1.005	2	121.2095	1.010	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Mn)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.6910	0.000	1	123.6910	0.000	1	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	120.5925	0.202	2	121.5864	1.247	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.2649	0.867	7	121.5864	1.247	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.7960	0.000	1	121.5864	1.247	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PMnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	121.1010	0.547	2	121.5864	1.247	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.4910	0.000	1	120.4910	0.000	1	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.4267	0.668	3	119.3238	1.188	9	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Mo)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	118.7723	0.792	6	119.3238	1.188	9	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Fe<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	120.3860	1.344	4	120.8516	1.278	7	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Ru<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	121.4723	0.341	3	120.8516	1.278	7	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.4137	0.524	4	120.4137	0.275	4	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	119.3730	1.672	2	120.6696	0.704	24	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.7875	0.681	22	120.6696	0.704	24	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	118.9760	0.109	2	118.9760	0.012	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(PMoCC)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mo<6>,1|H<1>,3|C<3>}	119.7178	0.864	5	119.7178	0.746	5	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.5460	0.000	1	121.5460	0.000	1	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Ni)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.7410	0.000	1	121.7410	0.000	1	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.0410	0.000	1	119.0410	0.000	1	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.0398	0.953	11	121.8368	0.869	14	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.3520	0.000	1	121.8368	0.869	14	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PNiCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.9625	0.040	2	121.8368	0.869	14	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Os)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Os)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	121.1750	0.495	2	121.1750	0.245	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.1150	0.000	1	122.1150	0.000	1	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.4967	1.319	3	121.9392	1.505	5	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.1030	0.458	2	121.9392	1.505	5	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]PdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]PdC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.8819	1.116	11	121.8819	1.245	11	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.5797	0.666	10	120.5480	1.280	15	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PPdCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.4846	1.864	5	120.5480	1.280	15	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.5354	0.714	7	120.7518	0.422	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.2840	0.444	3	120.7518	0.422	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PPtCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.7110	0.085	2	120.7518	0.422	12	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6]2Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6]2Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.3795	0.401	2	121.3795	0.161	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Re)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	120.2405	0.100	2	120.2405	0.010	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	122.5981	1.071	8	122.3203	1.306	10	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	121.7730	0.000	1	122.3203	1.306	10	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PReCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	120.6450	0.000	1	122.3203	1.306	10	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	123.0880	0.000	1	121.9575	2.556	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Rh)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	120.8270	0.000	1	121.9575	2.556	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]RhC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]RhC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.5973	0.722	3	121.5973	0.521	3	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	120.9655	1.114	21	120.6687	0.868	56	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	120.3413	0.795	27	120.6687	0.868	56	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PRhCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	120.9946	0.361	8	120.6687	0.868	56	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.2155	1.528	2	121.2155	2.335	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	122.0670	0.000	1	120.1556	1.248	5	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.6120	0.430	2	120.1556	1.248	5	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(PC[6a]2Ru)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7435	0.470	2	120.1556	1.248	5	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]RuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(PC[6a]RuC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.5235	0.197	2	120.5235	0.039	2	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.8038	1.452	21	121.5873	1.973	40	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	120.8421	0.570	10	121.5873	1.973	40	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.3980	0.499	2	121.5873	1.973	40	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	119.9860	0.000	1	121.5873	1.973	40	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	118.8230	0.000	1	121.5873	1.973	40	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.1176	0.875	5	121.5873	1.973	40	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.5766	1.264	5	119.9482	2.107	6	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(PZnCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.8060	0.000	1	119.9482	2.107	6	121.3306	2.437	435	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP)	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHHP){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(PFeCC)(H)2	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.2693	0.690	3	122.2693	0.475	3	122.2693	0.475	3	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SCu2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SCu2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.5405	0.650	4	121.5405	0.423	4	122.0920	1.838	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:S-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS)	C(C[6]C[6]N[6])(SRhCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SRhCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	124.2980	0.000	1	124.2980	0.000	1	122.0920	1.838	5	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiRhCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(CSiHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(SiRhCC)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Rh<7>,2|C<3>}	120.4340	0.000	1	120.4340	0.000	1	121.7044	1.315	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SiIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	123.1865	0.711	2	123.3687	0.352	3	121.7044	1.315	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SiIrCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	123.7330	0.000	1	123.3687	0.352	3	121.7044	1.315	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiC[6a]2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CSiHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SiC[6a]2C)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	120.8422	0.259	4	120.8422	0.067	4	121.7044	1.315	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<5>,1|H<1>}	C(C[6]C[6]N[6])(SiC3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.9290	0.000	1	121.9290	0.000	1	121.7044	1.315	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SiRuCC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.5383	0.516	3	121.5383	0.267	3	121.7044	1.315	12	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:1:	P[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.6400	0.154	2	122.6400	0.024	2	122.6400	0.024	2	121.8260	3.395	4720	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|O<2>,5|C<3>}	123.3040	0.000	1	123.3040	0.000	1	118.9410	14.281	3	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6]C[6])(CHHS)(H)2	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	C(C[6]C[6,6]C[6])(CHHS)(H)2	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|S<2>,5|C<3>}	116.7595	0.090	2	116.7595	0.008	2	118.9410	14.281	3	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH){1|Pt<4>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC){1|N<3>,2|C<3>,2|H<1>}	121.5305	0.400	2	121.5305	0.160	2	121.5305	0.160	2	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(NC){1|C<2>,1|C<4>,1|H<1>}	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6]){2|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	119.0670	0.685	3	119.0670	0.470	3	119.0670	0.470	3	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	122.1500	0.064	2	122.1500	0.004	2	123.9860	5.271	5	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a]){1|O<1>,2|C<3>}	126.4875	0.228	2	126.4875	0.052	2	123.9860	5.271	5	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C(C[6]C[6]2)(CCCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CCCH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	122.6550	0.000	1	122.6550	0.000	1	123.9860	5.271	5	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	121.3400	0.000	1	120.5315	1.336	8	120.5315	1.336	8	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<6>,1|C<4>,1|H<1>,3|C<3>}	120.4160	1.198	7	120.5315	1.336	8	120.5315	1.336	8	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<3>,1|H<1>,1|N<2>}	115.0225	0.641	2	117.0324	2.437	13	117.0324	2.437	13	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<2>}	117.1124	1.381	9	117.0324	2.437	13	117.0324	2.437	13	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<3>}	118.6820	0.058	2	117.0324	2.437	13	117.0324	2.437	13	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]N[6])(CCCH)(H)2	C[6](C[6]N[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	122.9475	0.402	8	122.9475	0.161	8	122.9475	0.161	8	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]O)(CHHN)	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](N[6]C[6]Cu)(C[6]C[6]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Cu<5>,1|C<3>,1|H<1>}	124.5030	0.000	1	124.5030	0.000	1	123.1107	1.455	3	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CHHN)	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<5>,1|C<3>,1|H<1>}	122.4145	0.042	2	122.4145	0.002	2	123.1107	1.455	3	120.4803	9.032	47	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[5,6]C[6])(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C(C[6]C[5,6]C[6])(CCHH)(H)2	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CBrHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<1>,4|C<3>}	C(C[6]C[6]2)(CBrHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	123.9740	0.000	1	123.9740	0.000	1	123.9740	0.000	1	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH){2|C<4>}	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|Rh<6>,1|C<2>,1|N<3>,2|C<4>,3|H<1>}	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	118.4750	0.000	1	118.4750	0.000	1	117.3783	0.924	3	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){2|C<6>,2|H<1>,3|B<6>,3|C<3>}	116.8300	0.209	2	116.8300	0.044	2	117.3783	0.924	3	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	122.8222	0.995	4	122.5817	1.563	11	122.5817	1.563	11	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	124.6940	0.000	1	122.5817	1.563	11	122.5817	1.563	11	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	122.0693	1.131	6	122.5817	1.563	11	122.5817	1.563	11	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	118.2825	0.397	2	118.2825	0.157	2	119.6091	1.033	7	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	120.9160	0.000	1	120.9160	0.000	1	119.6091	1.033	7	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.7740	0.062	3	119.9458	0.121	4	119.6091	1.033	7	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.4610	0.000	1	119.9458	0.121	4	119.6091	1.033	7	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){4|C<3>,4|H<1>}	122.9665	0.026	2	122.9665	0.001	2	122.9665	0.001	2	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	123.4205	1.500	6	122.9446	6.180	10	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	122.2308	3.696	4	122.9446	6.180	10	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	124.1195	0.518	4	123.9162	0.408	5	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	123.1030	0.000	1	123.9162	0.408	5	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	125.6100	1.907	8	125.6100	3.637	8	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]C)(CCC){1|C<3>,2|H<1>}	122.1548	0.786	4	122.1548	0.619	4	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[6]Ni)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	124.2150	0.471	4	124.2150	0.221	4	123.8512	4.342	31	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	118.7610	0.000	1	119.3280	0.643	2	119.3280	0.643	2	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|H<1>,4|C<3>}	C(C[6]C[6]2)(NCHH)(H)2	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	119.8950	0.000	1	119.3280	0.643	2	119.3280	0.643	2	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,3|H<1>}	125.5264	0.614	28	125.5210	0.364	30	125.5210	0.364	30	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,4|H<1>}	125.4460	0.605	2	125.5210	0.364	30	125.5210	0.364	30	123.3888	6.919	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	125.6220	0.000	1	125.6220	0.000	1	125.6220	0.000	1	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH){1|H<1>,4|C<3>}	120.5420	0.000	1	120.5420	0.000	1	120.5420	0.000	1	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	116.9910	0.110	2	116.9910	0.012	2	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	117.0880	0.000	1	117.0880	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	116.7680	0.566	2	116.7680	0.320	2	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	112.8780	0.000	1	112.8780	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	116.7030	0.000	1	116.7030	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	117.4116	0.687	5	117.4116	0.472	5	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	117.5960	0.000	1	117.5960	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	117.4660	0.000	1	117.4660	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	115.9940	0.000	1	115.9940	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	120.4537	0.129	4	120.4537	0.017	4	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	123.7840	0.000	1	123.7840	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	124.0330	0.000	1	124.0330	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	125.5650	0.000	1	125.5650	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	124.9460	0.000	1	124.9460	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	122.1610	0.000	1	121.9410	0.097	2	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	121.7210	0.000	1	121.9410	0.097	2	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	122.1390	0.000	1	122.1390	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	120.0190	0.000	1	119.6310	0.301	2	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	119.2430	0.000	1	119.6310	0.301	2	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	120.6990	0.000	1	120.6990	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>}	120.4210	0.000	1	120.4210	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	120.1850	0.435	3	121.2738	1.502	6	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	122.3627	0.099	3	121.2738	1.502	6	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	120.8340	0.000	1	120.1178	1.264	8	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	120.0154	1.173	7	120.1178	1.264	8	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	121.0450	0.000	1	121.9778	0.915	8	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	122.1110	0.950	7	121.9778	0.915	8	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	121.2610	0.000	1	121.2610	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	120.5330	0.000	1	120.5330	0.000	1	120.0935	6.390	54	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	123.8855	0.129	2	123.8855	0.017	2	123.8855	0.017	2	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	121.1188	0.223	4	121.1188	0.050	4	121.1188	0.050	4	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5a,6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.6550	0.000	1	117.6550	0.000	1	117.6550	0.000	1	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	123.3120	0.000	1	123.3120	0.000	1	123.3745	0.008	2	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	123.4370	0.000	1	123.4370	0.000	1	123.3745	0.008	2	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	121.5900	0.061	4	121.5900	0.004	4	121.5900	0.004	4	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH){1|H<1>,4|C<3>}	C(C[6]N[5,6]C[6])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	126.8210	0.000	1	126.8210	0.000	1	126.8210	0.000	1	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]N[5a,6]C[6])(CCHH)(H)2	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(CCCO)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3){1|Ru<5>,2|C<3>}	120.3270	1.155	2	120.3270	1.335	2	120.3270	1.335	2	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN)	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCoCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|C<4>}	121.2750	0.000	1	121.2750	0.000	1	121.6958	2.925	26	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	120.1340	1.013	2	121.7291	3.164	24	121.6958	2.925	26	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCuCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	121.8741	1.775	22	121.7291	3.164	24	121.6958	2.925	26	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN)	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NFeCC)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	121.3170	0.000	1	121.3170	0.000	1	121.6958	2.925	26	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]2Fe)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	122.3685	0.685	2	122.3685	0.469	2	121.9357	0.470	6	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	121.3160	0.310	2	121.3160	0.096	2	121.9357	0.470	6	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(N[5]C[5]2Mn)(H)2	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	122.1225	0.757	2	122.1225	0.574	2	121.9357	0.470	6	120.9719	5.591	106	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(C[6]C[6]2O)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:4:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	3:4:4:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3){1|C<4>,3|C<3>}	123.5650	0.000	1	123.5650	0.000	1	123.5650	0.000	1	123.5650	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH)	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(CC[5]HH){2|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	118.4680	0.363	2	118.4680	0.132	2	118.4680	0.132	2	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CF3)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CF3)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]C)(H){6|C<3>}	119.0675	0.163	2	119.0675	0.027	2	120.6147	7.195	3	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]C)(H){4|C<3>}	123.7090	0.000	1	123.7090	0.000	1	120.6147	7.195	3	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){2|C<4>,4|H<1>}	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	122.8430	0.000	1	122.8430	0.000	1	122.3470	0.492	2	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	121.8510	0.000	1	121.8510	0.000	1	122.3470	0.492	2	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	121.8730	0.000	1	121.8730	0.000	1	123.4017	1.689	15	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	122.8430	0.000	1	122.8430	0.000	1	123.4017	1.689	15	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	122.6920	0.132	2	123.4919	1.998	11	123.4017	1.689	15	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<3>,2|N<2>}	123.6697	1.517	9	123.4919	1.998	11	123.4017	1.689	15	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	123.9490	0.576	2	123.9490	0.331	2	123.4017	1.689	15	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	116.2030	0.000	1	116.2030	0.000	1	117.3963	2.805	6	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	116.2600	0.000	1	116.2600	0.000	1	117.3963	2.805	6	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){4|C<4>}	115.6070	0.000	1	115.6070	0.000	1	117.3963	2.805	6	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	119.4055	0.161	2	119.4055	0.026	2	117.3963	2.805	6	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]CH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	117.4970	0.000	1	117.4970	0.000	1	117.3963	2.805	6	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O)	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	121.1329	8.381	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,3|C<4>}	120.2770	0.062	2	120.2770	0.004	2	119.6467	0.553	4	119.6467	0.553	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OSi)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,3|C<4>}	119.0165	0.257	2	119.0165	0.066	2	119.6467	0.553	4	119.6467	0.553	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	125.4750	9.539	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	125.4750	9.539	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	125.4750	9.539	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6])(CCHH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	128.0840	0.532	2	128.0840	0.283	2	128.0840	0.283	2	125.4750	9.539	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]N[6])(CH3)(H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	128.0450	0.000	1	128.0450	0.000	1	128.0450	0.000	1	125.4750	9.539	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	124.9180	0.000	1	124.9180	0.000	1	124.1420	1.204	2	124.0823	0.613	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	123.3660	0.000	1	123.3660	0.000	1	124.1420	1.204	2	124.0823	0.613	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CHHS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,3|C<4>}	123.9630	0.000	1	123.9630	0.000	1	123.9630	0.000	1	124.0823	0.613	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	5:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,1|C<5>,3|H<1>,5|B<6>}	118.6235	0.523	2	118.6235	0.273	2	118.6235	0.273	2	118.6235	0.273	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:1:	C[6]-3:C[6,6a]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(H){2|C<3>,4|H<1>,5|B<6>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|B<6>,5|H<1>}	118.8685	0.135	2	118.8685	0.018	2	118.8685	0.018	2	118.8685	0.018	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6,6a]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	118.9410	0.000	1	119.1940	0.128	2	119.1940	0.128	2	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	119.4470	0.000	1	119.1940	0.128	2	119.1940	0.128	2	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	122.9550	0.000	1	122.9550	0.000	1	119.3892	1.687	10	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	118.5360	0.000	1	118.5360	0.000	1	119.3892	1.687	10	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	119.3240	0.000	1	119.0879	0.124	7	119.3892	1.687	10	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	119.0846	0.400	5	119.0879	0.124	7	119.3892	1.687	10	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	118.8680	0.000	1	119.0879	0.124	7	119.3892	1.687	10	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	118.7860	0.000	1	118.7860	0.000	1	119.3892	1.687	10	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	119.4054	1.140	15	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CF3)(OPd)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CF3)(OPd)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO)	C(C[6]C[6]2)(CH3)(OH)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO){3|C<3>}	C(C[6]C[6]2)(CH3)(OH)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	122.5175	1.910	2	122.5175	3.648	2	122.5175	3.648	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO)	C(C[6]C[6]2)(CH3)(OH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO){3|C<3>}	C(C[6]C[6]2)(CH3)(OH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	115.6875	2.003	2	115.6875	4.013	2	115.6875	4.013	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	123.8650	0.000	1	123.8650	0.000	1	121.0761	2.426	12	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CCHN)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5600	2.782	2	120.5600	7.738	2	121.0761	2.426	12	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HN)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.8175	1.287	4	120.8175	1.657	4	121.0761	2.426	12	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]2O)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4465	2.022	2	120.4465	4.087	2	121.0761	2.426	12	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CF3)(OPd)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CF3)(OPd)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	121.4990	0.000	1	121.4990	0.000	1	121.0761	2.426	12	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C(C[6]C[6]2)(CHHN)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CHHN)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.1330	0.576	2	121.1330	0.331	2	121.0761	2.426	12	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOP)	C(C[6]C[6]2)(PO3)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHOP){1|N<3>,2|H<1>}	C(C[6]C[6]2)(PO3)(OH)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.0465	0.408	2	121.0465	0.166	2	121.0465	0.166	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(CCCH)(OH)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	124.3460	0.000	1	124.3460	0.000	1	124.3460	0.000	1	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CH3)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCHO)	C(C[6]C[6]N[6])(CH3)(ON)(H)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCHO){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(ON)(H)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.9700	0.566	2	119.9700	0.320	2	119.9700	0.320	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[5]-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5]HO)	C(C[6]C[6]N[6])(C[5]C[5]2Mn)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5]HO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]C[5]2Mn)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<8>,1|C<3>,1|H<1>}	120.4515	0.521	2	120.4515	0.272	2	120.4515	0.272	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NCoCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCoCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	118.6930	0.000	1	118.6930	0.000	1	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NCuCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	128.2450	0.000	1	128.2450	0.000	1	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NCuCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NCuCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	125.7210	0.000	1	125.7210	0.000	1	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.5740	0.000	1	123.3455	0.104	2	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NNiCH)(OC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	123.1170	0.000	1	123.3455	0.104	2	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NNiCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NNiCH)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	124.8190	0.000	1	124.8190	0.000	1	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHNO)	C(C[6]C[6]N[6])(NZnCC)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCC)(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.5580	0.000	1	121.5580	0.000	1	123.6753	9.334	7	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:S-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS)	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(SC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Cd)(SC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.6560	0.000	1	120.6560	0.000	1	121.0955	0.386	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[5]-4:S-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS)	C(C[6]C[6]N[6])(N[5]C[5]2Zn)(SC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2Zn)(SC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.5350	0.000	1	121.5350	0.000	1	121.0955	0.386	2	121.3983	6.619	33	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(CH3)(OC)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(OC)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.6395	0.351	2	123.6395	0.124	2	123.6395	0.124	2	122.0213	7.917	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(CH3)(OC)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(OC)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	122.0213	7.917	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:2:2:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-2:C-2:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	120.8780	0.045	2	120.8780	0.002	2	120.8780	0.002	2	120.8780	0.002	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>}	118.3850	0.000	1	118.3850	0.000	1	118.3850	0.000	1	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	117.7430	0.000	1	117.7430	0.000	1	117.7430	0.000	1	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:P-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	124.4705	0.199	2	124.4705	0.039	2	124.4705	0.039	2	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]HN)(NFeC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	122.6107	0.243	3	122.6107	0.059	3	122.6107	0.059	3	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OMn2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.2750	0.567	2	123.2750	0.322	2	122.1495	1.092	11	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OMnB)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.9960	0.000	1	122.9960	0.000	1	122.1495	1.092	11	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OMnH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.3220	0.000	1	123.3220	0.000	1	122.1495	1.092	11	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(ORe2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	122.1335	0.695	2	122.1335	0.483	2	122.1495	1.092	11	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OReC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.9280	0.000	1	121.9280	0.000	1	122.1495	1.092	11	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OReH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.1453	0.684	4	121.1453	0.468	4	122.1495	1.092	11	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]MoH)(CCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]MoH)(CCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.6433	0.467	3	122.6433	0.218	3	122.7568	0.352	5	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NMoCH)(CCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NMoCH)(CCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.2650	0.000	1	122.2650	0.000	1	122.7568	0.352	5	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]PtH)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]PtH)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	123.5890	0.000	1	123.5890	0.000	1	122.7568	0.352	5	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN)	C(C[6]C[6]N[6])(NC[6a]MoH)(C[5]N[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]MoH)(C[5]N[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	124.4810	0.000	1	124.4810	0.000	1	124.4810	0.000	1	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:N-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN)	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]FeH)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.6370	0.000	1	122.6370	0.000	1	122.6370	0.000	1	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PMnCC)(CCN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PMnCC)(CCN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	124.2840	0.000	1	124.2840	0.000	1	123.6936	0.264	7	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PReCC)(CCN)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	123.9700	0.354	3	123.9700	0.125	3	123.6936	0.264	7	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PReCC)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PReCC)(COO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	123.1560	0.000	1	123.1560	0.000	1	123.6936	0.264	7	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PRuCC)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.2525	0.282	2	123.2525	0.080	2	123.6936	0.264	7	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:P-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP)	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.9310	0.000	1	119.9310	0.000	1	120.1340	0.266	3	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:P-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.7200	0.000	1	120.7200	0.000	1	120.1340	0.266	3	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:P-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.7510	0.000	1	119.7510	0.000	1	120.1340	0.266	3	122.3915	2.763	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	C(C[6]C[6]2)(CF3)(COO)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	125.4160	0.000	1	125.4160	0.000	1	125.4160	0.000	1	125.4160	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<2>,2|C<4>}	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){2|C<4>,2|H<1>}	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	113.9600	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(NCHH)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.5020	0.000	1	123.5240	18.265	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO){4|C<3>}	126.5460	0.000	1	126.5460	0.000	1	126.5460	0.000	1	123.5240	18.265	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCOO)	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCOO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OCu2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)(COO)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(COO)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	121.2475	0.224	2	121.2475	0.050	2	121.2475	0.050	2	121.2475	0.050	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OCo2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	125.7610	0.413	2	125.7610	0.171	2	124.5357	4.590	3	124.5357	4.590	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(OCu2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.0850	0.000	1	122.0850	0.000	1	124.5357	4.590	3	124.5357	4.590	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	127.0090	1.915	2	127.0090	3.667	2	127.0090	3.667	2	127.0090	3.667	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH){1|Ge<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>}	115.8750	0.000	1	115.8750	0.000	1	116.7135	1.406	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH){1|Al<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|C<5>,1|H<1>}	117.5520	0.000	1	117.5520	0.000	1	116.7135	1.406	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6])(CH3)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|N<3>}	116.1070	0.000	1	116.1070	0.000	1	116.2830	0.062	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	116.4590	0.000	1	116.4590	0.000	1	116.2830	0.062	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]O)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]O)(O){1|C<4>,2|C<3>}	122.4420	0.000	1	122.4420	0.000	1	122.4420	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)2(C)	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)2(C)	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)2(C)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)2(C)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.7470	0.298	2	117.7470	0.089	2	117.7470	0.089	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.5260	0.000	1	125.5260	0.000	1	125.5260	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.1570	0.709	2	118.1693	0.266	4	118.1693	0.266	4	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7980	0.000	1	118.1693	0.266	4	118.1693	0.266	4	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.5650	0.000	1	118.1693	0.266	4	118.1693	0.266	4	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	117.7740	3.934	2	117.7740	15.479	2	117.7740	15.479	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	125.2280	0.000	1	125.2280	0.000	1	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.9270	0.000	1	119.9270	0.000	1	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<2>}	120.1460	0.000	1	120.1460	0.000	1	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	124.3270	0.547	2	124.3270	0.300	2	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	122.9350	0.505	2	122.9350	0.255	2	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CCCH)2(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCCH){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCCH)2(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.5255	2.033	2	121.5255	4.133	2	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]B[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCCH){1|B<3>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]B[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.5198	1.531	4	120.5198	2.345	4	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCCH){1|Pd<5>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	121.6560	0.000	1	121.0349	1.955	25	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Cr<4>,1|H<1>,2|C<3>}	121.0160	3.192	2	121.0349	1.955	25	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Pd<4>,1|H<1>,2|C<3>}	121.0084	1.315	22	121.0349	1.955	25	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	120.7170	0.000	1	120.7170	0.000	1	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH){1|Li<5>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.9590	0.000	1	117.9590	0.000	1	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	119.1160	0.000	1	119.1160	0.000	1	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Fe<9>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Fe<9>,1|C<4>,2|C<3>}	118.6360	0.000	1	118.6375	0.000	2	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Pd<4>,3|C<3>}	118.6390	0.000	1	118.6375	0.000	2	121.0673	3.176	43	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	117.4297	0.869	3	117.4297	0.755	3	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	117.4390	0.000	1	117.4390	0.000	1	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	117.7040	0.000	1	117.7040	0.000	1	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	117.3860	0.000	1	117.3860	0.000	1	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O){1|H<1>,2|C<3>}	116.5220	1.894	2	116.8740	1.629	4	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.2260	0.898	2	116.8740	1.629	4	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	118.6313	0.219	3	118.6313	0.048	3	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(O){1|H<1>,2|C<3>}	117.5255	0.271	2	117.5255	0.073	2	117.5506	0.858	15	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	118.5850	1.522	2	118.5850	2.316	2	118.5850	2.316	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHN)	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHN){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HO)(NH3)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.7190	2.304	4	120.7190	5.308	4	120.6096	4.041	5	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHN)	C(C[6]C[6]2)(CH3)(NH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	C(C[6]C[6]2)(CH3)(NH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	120.1720	0.000	1	120.1720	0.000	1	120.6096	4.041	5	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.7770	0.000	1	121.7770	0.000	1	121.7770	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:Si-4:Si-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSi2H)	C(C[6]C[6]2)(SiC3)2(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSi2H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(SiC3)2(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.8905	0.258	2	121.8905	0.067	2	121.8905	0.067	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	122.3930	0.000	1	122.3930	0.000	1	125.0683	1.895	6	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	125.6034	0.471	5	125.6034	0.222	5	125.0683	1.895	6	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	120.6875	0.655	6	120.6875	0.429	6	121.6224	1.768	18	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	118.9200	0.000	1	118.9200	0.000	1	121.6224	1.768	18	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<3>,2|C<3>}	123.1765	1.204	2	123.1765	1.450	2	121.6224	1.768	18	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	122.5250	0.166	4	122.5250	0.028	4	121.6224	1.768	18	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.7323	0.390	3	122.7323	0.152	3	121.6224	1.768	18	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCHH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.7545	0.484	2	120.7545	0.235	2	121.6224	1.768	18	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]HO)(PMnCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	123.8270	0.000	1	123.8270	0.000	1	123.4030	0.360	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.9790	0.000	1	122.9790	0.000	1	123.4030	0.360	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCuCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	124.8470	0.945	2	124.8470	0.892	2	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NFeCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	126.9880	0.147	2	126.9880	0.022	2	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6]MnH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.0178	1.065	4	122.0178	1.133	4	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NMnCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	123.4200	0.987	2	123.4200	0.974	2	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]NiH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.4130	0.000	1	121.4130	0.000	1	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	126.4365	0.844	2	126.0588	0.436	4	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NNiCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	125.6810	0.157	2	126.0588	0.436	4	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.0540	0.000	1	121.0540	0.000	1	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPdCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.4507	0.863	4	122.4507	0.745	4	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtHH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	123.0400	0.000	1	123.0400	0.000	1	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NRuHH)(CC3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	127.5700	0.000	1	127.5700	0.000	1	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NRuHH)(CCCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	123.3110	0.000	1	123.3110	0.000	1	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnCC)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	123.6382	0.789	4	123.6382	0.622	4	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	122.1220	0.000	1	121.4813	1.195	3	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NZnCH)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	121.1610	1.332	2	121.4813	1.195	3	123.6001	4.124	30	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	123.3355	1.155	2	123.3355	1.333	2	123.1167	1.212	6	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.1280	0.000	1	122.1280	0.000	1	123.1167	1.212	6	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.0690	0.000	1	122.0690	0.000	1	123.1167	1.212	6	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	123.9160	1.131	2	123.9160	1.280	2	123.1167	1.212	6	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO)	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(ONi3)(CH3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	123.7325	0.477	2	123.7325	0.228	2	123.7325	0.228	2	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:B-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(BC[6a]3)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	124.1800	0.000	1	124.1800	0.000	1	124.1800	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.1475	1.916	2	121.1475	3.669	2	121.4257	2.067	3	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Rh)(CC[6a]HP)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	121.9820	0.000	1	121.9820	0.000	1	121.4257	2.067	3	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:P-4:P-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHPP)	C(C[6]C[6]N[6])(PC[6a]2Ir)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Ir)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	121.3775	7.152	157	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(OH){3|C<3>}	120.2110	0.656	4	120.2110	0.431	4	120.2110	0.431	4	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NC){1|C<3>,1|H<1>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>}	120.8840	0.000	1	120.8840	0.000	1	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	124.3570	0.675	2	124.3570	0.455	2	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	124.7010	0.000	1	124.7010	0.000	1	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	125.1745	0.474	2	125.0133	0.190	3	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	124.6910	0.000	1	125.0133	0.190	3	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	123.7615	3.857	2	123.7615	14.879	2	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	124.1290	0.290	3	124.1290	0.084	3	124.1041	2.678	12	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<3>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	122.9102	4.949	18	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|Ni<4>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NNiC){1|Ni<4>,1|C<4>,2|H<1>}	119.7980	0.000	1	119.7980	0.000	1	121.5140	5.889	2	122.3389	1.742	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NZnC){1|C<3>,1|H<1>}	123.2300	0.000	1	123.2300	0.000	1	121.5140	5.889	2	122.3389	1.742	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	122.6620	0.000	1	122.6620	0.000	1	122.6620	0.000	1	122.3389	1.742	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Pd<4>,3|H<1>,4|C<3>}	121.9200	0.000	1	121.9200	0.000	1	122.6705	0.886	4	122.3389	1.742	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Fe)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Fe<9>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Fe)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	121.8060	0.000	1	121.8060	0.000	1	122.6705	0.886	4	122.3389	1.742	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	123.4780	0.208	2	123.4780	0.043	2	122.6705	0.886	4	122.3389	1.742	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	3:4:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH){1|Li<5>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,2|H<1>,3|C<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH)	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O)	C[6](C[5,6]C[3x5,6]O[5])(C[6]C[5,6]O)(CCCH){1|O<2>,5|C<4>}	C(C[6]C[5,6]C[6])(CH3)2(H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O){1|O<2>,2|H<1>,4|C<4>}	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[3,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	120.2650	0.000	1	120.2650	0.000	1	120.2650	0.000	1	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	125.0470	1.321	3	125.0470	1.745	3	125.0470	1.745	3	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){1|O<1>,4|C<4>}	125.0580	0.000	1	125.0580	0.000	1	125.0580	0.000	1	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	117.2050	0.000	1	117.3077	0.060	4	117.3077	0.060	4	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	117.3420	0.288	3	117.3077	0.060	4	117.3077	0.060	4	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	124.8897	0.598	3	124.8897	0.357	3	122.5721	5.010	8	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|Ni<4>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.4530	0.000	1	121.4530	0.000	1	122.5721	5.010	8	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH){1|Ni<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	121.5660	0.000	1	121.5660	0.000	1	122.5721	5.010	8	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCCH){1|Cu<5>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.4340	2.623	2	121.4340	6.882	2	122.5721	5.010	8	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCCH){1|Pd<5>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.0210	0.000	1	120.0210	0.000	1	122.5721	5.010	8	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O){1|C<3>,2|H<1>,4|C<4>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:N-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHN)	C(C[6]C[6]2)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	C(C[6]C[6]2)(CH3)(NH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6160	0.000	1	120.6160	0.000	1	120.6160	0.000	1	121.4549	10.105	21	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|C<3>,3|H<1>}	121.4830	0.000	1	121.4830	0.000	1	121.4830	0.000	1	125.4783	12.149	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	127.4760	0.595	2	127.4760	0.354	2	127.4760	0.354	2	125.4783	12.149	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(CH3)(OCo)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	128.3190	0.487	3	128.3190	0.238	3	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(CH3)(OCu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.8580	0.000	1	123.8580	0.000	1	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	123.2050	0.178	2	124.2282	1.025	37	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	124.3446	1.070	29	124.2282	1.025	37	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	124.5400	0.000	1	124.2282	1.025	37	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(OIr)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	123.9004	0.657	5	124.2282	1.025	37	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(CH3)(ONi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	124.1430	0.000	1	124.1430	0.000	1	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ONi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(ONi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	125.4620	0.000	1	125.6380	0.062	2	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ONi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(ONi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	125.8140	0.000	1	125.6380	0.062	2	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)2(OP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.6060	0.000	1	122.5145	0.017	2	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(OP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.4230	0.000	1	122.5145	0.017	2	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(OP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)2(OP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.5620	0.169	3	121.5620	0.028	3	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CF3)2(OPt)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CF3)2(OPt)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	124.7480	0.328	3	124.7480	0.108	3	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ORh)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(ORh)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	123.9827	0.236	3	123.9827	0.056	3	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ORu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(ORu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	123.2330	0.000	1	123.2620	0.002	2	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:2:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CH3)2(ORu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)2(ORu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	123.2910	0.000	1	123.2620	0.002	2	124.2651	2.181	57	124.2651	2.181	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)2(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	123.0043	36.525	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)2(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	123.7340	0.000	1	123.7340	0.000	1	123.7340	0.000	1	123.0043	36.525	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)2(OCo2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	128.6500	0.000	1	128.6500	0.000	1	128.6500	0.000	1	123.0043	36.525	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3)	C(C[6]C[5,6]C[6])(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,1|P<4>,2|C<4>}	C(C[6]C[5,6]C[6])(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	125.8300	0.000	1	125.8300	0.000	1	125.8300	0.000	1	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C(C[6]C[6,6]C[6])(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|Nd<21>,1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6,6]C[6])(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|Nd<21>,1|C<4>,2|O<2>}	121.0206	0.522	5	121.0926	0.185	9	121.0926	0.185	9	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C(C[6]C[6,6]C[6])(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|W<14>,1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6,6]C[6])(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|W<14>,1|C<4>,2|O<2>}	121.1825	0.332	4	121.0926	0.185	9	121.0926	0.185	9	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3)	C(C[6]C[6,6a]C[6])(CH3)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(CH3)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]C)(H){1|O<1>,4|C<3>}	119.0790	0.000	1	119.0790	0.000	1	119.0790	0.000	1	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.2845	2.147	2	121.8497	1.243	6	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	122.1322	0.463	4	121.8497	1.243	6	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<8>,1|H<1>,1|N<3>,3|C<3>}	120.5030	0.000	1	121.3250	1.896	5	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|H<1>,1|N<3>,3|C<3>}	122.6960	0.000	1	121.3250	1.896	5	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<12>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5210	0.000	1	121.3250	1.896	5	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<9>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4525	1.440	2	121.3250	1.896	5	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	121.3185	0.320	2	121.3185	0.103	2	121.5662	1.233	13	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	123.3645	1.764	2	123.5190	1.628	3	123.5190	1.628	3	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	123.8280	0.000	1	123.5190	1.628	3	123.5190	1.628	3	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|Th<17>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Th<17>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	122.2485	0.400	2	122.2485	0.160	2	120.8777	5.665	14	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	123.1840	0.387	2	122.4729	2.119	7	120.8777	5.665	14	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	122.1884	1.670	5	122.4729	2.119	7	120.8777	5.665	14	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	118.0962	0.360	5	118.0962	0.129	5	120.8777	5.665	14	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.5900	0.144	2	119.5900	0.021	2	119.5900	0.021	2	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	117.9450	0.000	1	119.5163	2.870	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<8>,1|C<3>,1|H<1>,1|N<3>}	121.3110	0.000	1	119.5163	2.870	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	119.2930	0.000	1	119.5163	2.870	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Hf<13>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Hf<13>,1|H<1>,2|C<4>}	120.1795	1.892	10	119.2189	1.944	35	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|H<1>,2|C<4>}	118.8346	0.934	25	119.2189	1.944	35	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	117.1610	0.000	1	117.1610	0.000	1	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<1>}	117.1055	0.897	2	117.1055	0.805	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	121.5675	1.510	2	121.4217	0.763	6	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	121.3487	0.700	4	121.4217	0.763	6	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.6075	1.669	2	118.7833	3.431	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.1350	0.000	1	118.7833	3.431	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H){1|C<6>,1|H<1>,4|B<6>}	117.5485	0.121	2	117.5485	0.015	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,2|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	117.4080	0.000	1	117.4080	0.000	1	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){3|C<3>}	117.6340	0.000	1	117.6340	0.000	1	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){3|C<3>}	121.6430	0.000	1	121.6430	0.000	1	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	123.8720	0.256	2	123.8720	0.066	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|O<2>,2|C<3>}	119.8777	0.341	4	120.0912	0.185	6	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|Zr<16>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<16>,1|C<3>,1|C<4>,1|O<2>}	120.5180	0.167	2	120.0912	0.185	6	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.9305	2.961	2	121.5511	4.784	10	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.4930	0.529	6	121.5511	4.784	10	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.3460	0.297	2	121.5511	4.784	10	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.2375	0.590	2	122.3990	0.553	4	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.5605	1.098	2	122.3990	0.553	4	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.5225	0.199	2	122.6012	0.018	5	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	122.6130	0.017	2	122.6012	0.018	5	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	122.7350	0.000	1	122.6012	0.018	5	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Bi)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Bi)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.6015	0.071	2	120.6015	0.005	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.5345	0.228	2	120.5345	0.052	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	123.1301	0.663	8	123.1301	0.439	8	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	122.9870	0.000	1	122.9458	1.527	14	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	123.2246	0.810	8	122.9458	1.527	14	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	121.3570	0.034	2	122.9458	1.527	14	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	124.4520	0.000	1	122.9458	1.527	14	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	124.5340	0.000	1	122.9458	1.527	14	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.7570	0.000	1	122.9458	1.527	14	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	120.1980	2.466	2	120.1980	6.083	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	120.4385	0.817	4	120.4545	0.403	6	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	120.4865	0.108	2	120.4545	0.403	6	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	123.7867	0.335	3	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.7127	0.847	3	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	123.8083	1.123	3	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|O<2>,2|C<3>}	121.4520	0.358	4	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	120.8244	0.682	28	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.9954	0.537	21	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	118.5825	1.015	2	121.4982	1.440	64	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.6030	0.963	4	120.5469	0.420	15	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.5265	0.554	11	120.5469	0.420	15	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	123.0240	0.467	2	123.0240	0.218	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.7760	2.208	2	122.0413	2.485	4	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<13>,1|C<3>,1|H<1>,1|O<2>}	122.3065	1.517	2	122.0413	2.485	4	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ta<13>,1|C<3>,1|H<1>,1|O<2>}	120.8910	1.532	2	120.8910	2.346	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.3470	0.000	1	122.1576	3.298	7	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.3410	0.565	4	122.1576	3.298	7	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.6960	0.000	2	122.1576	3.298	7	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	122.6280	0.000	1	122.6280	0.000	1	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.5710	0.000	1	121.7353	0.260	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.8175	0.692	2	121.7353	0.260	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<7>,2|C<3>}	122.9710	0.031	2	121.9598	1.445	13	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<8>,2|C<3>}	122.4450	1.385	2	121.9598	1.445	13	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.2560	0.000	1	121.9598	1.445	13	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ta<8>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.3625	1.443	6	121.9598	1.445	13	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.1075	0.469	2	121.9598	1.445	13	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Br<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.1290	0.477	2	119.1290	0.227	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9990	1.773	3	119.9990	3.144	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	123.5220	0.424	3	123.3247	0.276	4	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	122.7330	0.000	1	123.3247	0.276	4	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	122.4853	0.761	3	122.4853	0.579	3	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	121.7013	1.110	4	121.5659	1.439	10	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	121.8505	1.773	2	121.5659	1.439	10	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<9>,1|C<3>,1|H<1>,1|O<2>}	121.2883	1.362	4	121.5659	1.439	10	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.7278	1.580	6	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.5074	1.657	5	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.9053	0.478	3	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.9327	1.624	4	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	121.0292	1.791	12	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.2095	1.616	6	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.7530	1.756	2	121.1701	2.478	38	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	121.7015	0.740	4	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	120.7710	2.164	4	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	122.3254	0.526	7	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	120.9030	1.421	3	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	121.6423	1.734	3	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.1679	1.411	16	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	121.4990	0.820	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.7661	1.405	58	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	122.7420	2.131	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	122.0787	1.970	16	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.0320	1.199	6	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	120.5230	0.194	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.1261	1.151	19	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.4250	0.529	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.6620	0.000	1	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	122.6515	1.005	6	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.5682	1.306	39	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	122.7257	0.922	9	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.3779	1.297	76	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	121.4717	1.309	10	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	122.5635	1.580	53	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	122.1241	1.222	16	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	122.0378	1.381	18	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.4955	1.293	26	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	122.8665	0.101	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	121.6268	1.800	11	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.9987	0.543	3	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	122.8180	0.000	1	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	122.7380	2.468	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.8480	0.191	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.9978	1.269	18	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.4885	1.400	6	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	122.2359	0.832	10	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	122.5130	0.539	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.0455	1.834	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	122.1789	1.686	10	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	122.2290	2.325	6	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ge<6>,1|C<3>,1|H<1>}	121.8370	2.683	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	122.2405	2.166	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	122.0159	2.034	10	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.9605	2.398	2	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	122.0040	1.246	6	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	121.8550	1.235	4	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.6697	2.245	3	121.9106	2.101	502	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	121.6410	2.165	2	121.6410	4.688	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.3930	0.192	2	123.3930	0.037	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Br<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	123.8710	0.257	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.2463	0.077	3	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	120.8373	2.402	3	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	118.1653	1.737	3	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	122.5117	3.891	3	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	120.4650	0.078	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	120.8235	1.224	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ta<8>,1|C<3>,1|H<1>,1|O<2>}	121.4608	1.707	6	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	122.3810	0.513	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<8>,1|C<3>,1|H<1>,1|O<2>}	121.6080	0.379	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.8447	1.841	13	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	119.7470	0.239	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){2|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	121.7630	0.998	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){2|Ho<15>,1|C<3>,1|H<1>,1|O<3>}	121.5600	0.897	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){2|Tb<15>,1|C<3>,1|H<1>,1|O<3>}	121.7410	0.765	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ce<16>,1|C<3>,1|H<1>,1|O<2>}	121.5344	1.552	16	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	121.5670	0.436	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ho<14>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ho<14>,1|C<4>,1|H<1>,1|N<3>}	120.5040	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ho<15>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ho<15>,1|C<4>,1|H<1>,1|N<3>}	120.0190	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Lu<14>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Lu<14>,1|C<4>,1|H<1>,1|N<3>}	120.4460	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,1|U<9>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<2>,1|U<9>}	118.6560	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ni<5>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|C<4>,2|H<1>}	119.2230	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ru<10>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ru<10>,1|C<4>,1|H<1>,1|O<2>}	119.3670	0.468	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ta<13>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ta<13>,1|C<4>,1|H<1>,1|O<2>}	121.1600	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<10>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>}	121.3960	1.397	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<13>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<13>,1|C<4>,1|H<1>,1|O<2>}	121.7735	0.920	4	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<9>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<9>,1|C<4>,1|H<1>,1|O<2>}	122.4540	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|U<12>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	122.2225	1.429	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|U<16>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<4>,1|H<1>,1|O<2>}	120.2340	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|W<14>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|W<14>,1|C<4>,1|H<1>,1|O<2>}	120.6245	0.839	4	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Y<14>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Y<14>,1|C<4>,1|H<1>,1|N<3>}	120.5670	0.000	1	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Yb<14>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|O<3>}	122.9745	0.419	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.9400	3.183	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<5>}	121.1600	1.874	4	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	121.9490	1.819	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<5>}	121.2500	0.242	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	121.7495	1.627	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	121.5983	1.291	4	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	121.4035	2.440	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ce<14>,1|C<3>,1|H<1>,1|O<2>}	121.6102	2.069	4	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>}	120.7280	0.557	4	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<3>}	121.5725	2.187	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	121.4750	0.297	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	121.8383	1.437	30	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<3>,1|H<1>,1|N<2>}	121.8285	3.910	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	118.7760	0.000	2	121.3386	2.952	156	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	122.4240	0.000	1	121.5415	1.558	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	120.6590	0.000	1	121.5415	1.558	2	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	120.7533	1.235	6	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	122.3192	0.617	4	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	122.4237	1.493	3	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	122.2643	1.423	4	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	121.6029	1.141	16	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	123.0547	1.952	4	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	122.6890	0.471	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	122.0198	1.385	52	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	121.0535	0.674	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	121.5249	1.824	15	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	121.4678	1.359	6	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	122.9810	0.293	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	119.0780	0.000	1	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	122.5779	1.005	19	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	120.7075	0.330	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	122.5160	0.000	1	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	120.2742	1.510	6	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.0680	1.310	40	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	120.6359	0.913	8	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	122.3419	1.374	75	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	121.9854	1.385	10	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	121.2129	1.308	54	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	121.3950	1.304	16	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	121.3224	1.340	18	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	121.2004	1.155	24	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	120.5235	0.011	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	122.1994	1.970	12	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	121.0100	0.000	1	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	121.0814	1.487	16	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.5767	1.634	3	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	121.3640	2.820	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	121.1360	3.643	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	121.1850	1.061	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.9150	0.014	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	120.3906	1.733	29	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	120.0935	1.449	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	121.3560	3.072	2	121.6633	2.256	465	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|O<2>,3|C<3>}	121.5725	2.732	2	121.6470	3.851	5	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|O<2>,3|C<3>}	121.6370	2.811	2	121.6470	3.851	5	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Co<5>,1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Co<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.8160	0.000	1	121.6470	3.851	5	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	121.6795	1.523	4	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	120.6500	0.797	6	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,3|C<3>}	122.8750	0.000	1	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	123.0905	0.548	2	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	120.6600	0.537	2	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	121.9049	2.020	13	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,3|C<3>}	122.1815	2.295	2	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,3|C<3>}	122.0985	1.402	4	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	119.2175	0.074	2	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.7914	1.401	9	121.6238	2.599	45	121.6103	2.526	1466	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.2854	0.267	8	119.2854	0.071	8	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.5175	0.054	2	118.9669	0.134	28	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.8678	0.270	10	118.9669	0.134	28	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.9808	0.340	12	118.9669	0.134	28	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.3978	0.389	4	118.9669	0.134	28	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.7610	0.487	4	118.6058	0.155	8	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.4505	0.247	4	118.6058	0.155	8	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	117.0510	0.000	1	117.0510	0.000	1	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	119.8590	0.000	1	119.8590	0.000	1	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	122.8740	0.000	1	122.8740	0.000	1	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	120.2080	0.000	1	120.2080	0.000	1	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	120.1713	0.679	8	120.0103	0.636	9	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	118.7230	0.000	1	120.0103	0.636	9	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.0293	0.265	3	118.9884	0.146	5	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.3920	0.000	1	118.9884	0.146	5	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	118.4620	0.000	1	118.9884	0.146	5	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	119.6137	1.236	3	119.7255	1.069	4	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	120.0610	0.000	1	119.7255	1.069	4	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.5410	0.718	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.5165	0.103	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.6655	0.520	8	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.3250	0.000	1	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	123.7565	2.365	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.6430	0.629	4	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.2900	0.324	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.5345	0.043	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.5115	0.175	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.4733	1.972	30	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.6215	0.520	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.3913	0.781	38	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.0475	0.764	2	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.4810	0.708	4	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	122.4953	0.575	11	120.2616	3.146	112	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	119.9630	0.000	1	119.6215	0.233	2	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.2800	0.000	1	119.6215	0.233	2	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3){1|C<3>,1|O<1>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|S<2>}	119.1105	2.780	2	119.1105	7.726	2	119.8621	2.482	182	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	125.0237	1.483	6	124.5117	2.030	9	124.4565	1.553	12	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.4877	0.516	3	124.5117	2.030	9	124.4565	1.553	12	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.9495	0.173	2	123.9495	0.030	2	124.4565	1.553	12	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHS)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	124.9740	0.000	1	124.9740	0.000	1	124.4565	1.553	12	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	Ge[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(CC3)	C(C[6]Ge[6]C[6])(CH3)3	C[6](C[6]Ge[6]C)(C[6]C[6]H)(H)	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]Ge[6]C[6])(CH3)3	C[6](C[6]Ge[6]C)(C[6]C[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	115.6350	0.000	1	115.6350	0.000	1	115.6350	0.000	1	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3)	C(C[6]N[4,6]C[6])(CH3)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]N[4,6]C[6])(CH3)3	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	121.4417	0.756	17	119.4861	6.853	33	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	117.4082	2.251	16	119.4861	6.853	33	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	117.3300	0.000	1	117.3300	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	123.6667	0.131	3	123.6667	0.017	3	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.8550	0.000	1	119.8550	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	124.0752	1.337	4	124.0752	1.788	4	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.9145	0.602	2	122.5802	0.486	5	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	123.0240	0.227	3	122.5802	0.486	5	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHS)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHS)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.6110	0.000	1	120.6110	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	126.1600	0.537	2	126.1600	0.289	2	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	124.6240	0.000	1	124.6240	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CPdHH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.7165	0.672	2	123.7165	0.452	2	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CClHH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CClHH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	116.7640	0.000	1	116.7640	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CPtHH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CPtHH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	125.0655	1.647	2	125.0655	2.712	2	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CHHP)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHHP)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.5330	0.000	1	121.5330	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	115.1492	1.463	4	116.6552	12.082	10	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	122.8205	0.303	2	116.6552	12.082	10	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	114.0070	0.078	2	116.6552	12.082	10	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	116.1500	1.608	2	116.6552	12.082	10	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Ga<2>,2|C<3>}	113.9340	1.054	2	115.1494	2.781	8	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	115.4360	1.837	2	115.1494	2.781	8	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	116.2545	3.019	2	115.1494	2.781	8	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	114.9730	0.499	2	115.1494	2.781	8	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	113.3370	0.000	1	113.3370	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,4|N<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]C)2(H){1|Nb<7>,1|H<1>}	118.3060	0.000	1	118.3060	0.000	1	119.6524	13.706	77	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]PdH)(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4250	0.000	2	119.4250	0.000	2	119.4250	0.000	2	121.3540	3.495	1784	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(NSi)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(NSi){1|C<4>,2|H<1>}	120.5920	0.632	2	120.5920	0.400	2	120.5920	0.400	2	122.5756	6.960	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	120.9245	0.414	2	120.9245	0.171	2	121.9880	2.060	10	122.5756	6.960	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	121.3360	0.348	4	121.3360	0.121	4	121.9880	2.060	10	122.5756	6.960	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OAl)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OAl){1|C<3>,2|H<1>}	122.4305	1.191	2	122.4305	1.420	2	121.9880	2.060	10	122.5756	6.960	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(OC){1|C<4>,2|H<1>}	123.9130	2.196	2	123.9130	4.824	2	121.9880	2.060	10	122.5756	6.960	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3){1|C<3>,1|O<1>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt){1|C<3>,1|C<4>,1|O<1>}	127.4975	3.430	2	127.4975	11.766	2	127.4975	11.766	2	122.5756	6.960	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	127.3930	0.000	1	127.3930	0.000	1	124.7845	13.609	2	123.8169	3.725	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	122.1760	0.000	1	122.1760	0.000	1	124.7845	13.609	2	123.8169	3.725	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	122.8882	0.292	4	122.8882	0.085	4	122.8882	0.085	4	123.8169	3.725	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN){1|C<2>,2|H<1>}	125.5960	0.000	1	125.5960	0.000	1	125.5960	0.000	1	123.8169	3.725	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CCHH)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	126.9960	0.000	1	126.9960	0.000	1	126.9960	0.000	1	126.9960	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	122.4800	0.195	2	122.4800	0.038	2	122.3599	0.165	8	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	122.3198	0.464	6	122.3198	0.215	6	122.3599	0.165	8	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3){5|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,3x6]-4:C[6]-3:O-1:	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3){2|O<2>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3){2|O<2>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>}	124.4990	0.000	1	124.4990	0.000	1	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Hf<13>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	121.5689	1.693	10	121.5689	2.867	10	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	122.6452	0.982	13	122.6452	0.965	13	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	122.9415	0.431	2	122.5531	0.223	12	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	122.4754	0.460	10	122.5531	0.223	12	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	122.7580	0.000	1	122.7580	0.000	1	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	124.0080	0.000	1	124.0080	0.000	1	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	123.9795	1.143	2	123.9795	1.307	2	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.5885	0.581	2	122.5885	0.337	2	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	122.4650	0.238	2	122.3282	0.067	4	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	122.1915	0.264	2	122.3282	0.067	4	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	122.6755	0.356	8	122.6755	0.126	8	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.2530	0.245	2	122.7582	0.194	12	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.9567	0.352	4	122.7582	0.194	12	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	122.4115	0.228	2	122.7582	0.194	12	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.9857	0.424	4	122.7582	0.194	12	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	122.5175	0.479	2	122.5175	0.229	2	122.5583	0.979	68	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,2|S<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.7550	0.000	1	122.7550	0.000	1	122.6640	0.184	9	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	123.1720	0.112	2	123.1720	0.012	2	122.6640	0.184	9	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,6|C<3>}	122.6660	0.164	4	122.6660	0.027	4	122.6640	0.184	9	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	122.1065	0.486	2	122.1065	0.236	2	122.6640	0.184	9	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3){5|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	124.3050	0.000	1	124.3050	0.000	1	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<12>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.4810	0.000	1	119.7353	1.752	3	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<9>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.3625	1.070	2	119.7353	1.752	3	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6]ThN)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|Th<17>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6]ThN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	119.3165	0.878	2	119.3165	0.770	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	120.9085	0.499	2	120.9085	0.249	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2O)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]2O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.1420	0.035	2	123.1420	0.001	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	123.0270	0.400	2	123.0270	0.160	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CS)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CS)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	122.8200	0.082	2	122.8200	0.007	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	121.9195	0.008	2	120.4225	3.695	4	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	118.9255	1.456	2	120.4225	3.695	4	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Y<14>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CY)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	122.5420	0.000	1	122.5420	0.000	1	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ho<14>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	122.6170	0.000	1	123.0285	0.339	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ho<15>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	123.4400	0.000	1	123.0285	0.339	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]LuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Lu<14>,1|C<5>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]LuC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	122.8710	0.000	1	122.8710	0.000	1	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,1|U<9>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	123.4110	0.000	1	121.0290	4.030	4	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|U<12>,1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.5290	1.239	2	121.0290	4.030	4	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|U<16>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	121.6470	0.000	1	121.0290	4.030	4	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NW)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|W<14>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]NW)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.3425	0.880	4	120.3425	0.775	4	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]RuO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ru<10>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]RuO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	122.6655	0.064	2	122.6655	0.004	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ta<13>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.1080	0.000	1	120.1080	0.000	1	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TiN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<10>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TiN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.8755	1.141	2	119.8755	1.301	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<13>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.3850	0.863	4	120.2234	0.690	5	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<9>,1|O<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.5770	0.000	1	120.2234	0.690	5	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]YbN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Yb<14>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]YbN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	119.6420	0.445	2	119.6420	0.198	2	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Co<5>,1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6]Co)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	120.7840	0.000	1	120.7840	0.000	1	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Ni<5>,1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	122.2870	0.000	1	122.2870	0.000	1	121.1193	2.652	44	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)3	C[6](C[6]N[6]CH)(C[6]N[6]C)(H){1|Ge<2>,2|C<3>}	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	121.9863	2.120	132	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|Zr<16>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN){1|C<3>,1|H<1>,1|O<2>}	122.8540	0.007	2	122.8540	0.000	2	122.8540	0.000	2	122.8540	0.000	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:4:4:4:	6:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3){1|C<4>,1|C<6>,4|B<6>}	C(C[6]C[6]2)(CH3)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H){1|C<3>,5|B<6>,5|H<1>}	123.0565	0.542	2	123.0565	0.294	2	123.0565	0.294	2	123.0565	0.294	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:5:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:Si-5:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]N[6])(SiRu2CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(SiRu2CC)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	3:5:5:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-5:C-5:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ta)(C[6]C[6]H)(CC3)	C(C[6]C[6]N[6])(CTaHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CTaHHN)2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ta<10>,1|C<3>,1|H<1>}	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH){1|Re<6>,1|C<3>,1|H<1>}	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.6970	0.000	1	121.6970	0.000	1	121.5565	1.704	6	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|N<3>,2|H<1>}	C(C[5]C[5,6a]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.9615	2.377	2	120.9615	5.648	2	121.5565	1.704	6	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	121.8400	0.000	1	121.8400	0.000	1	121.5565	1.704	6	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|H<1>,1|N<3>,1|P<4>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.9990	0.000	1	120.9990	0.000	1	121.5565	1.704	6	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|H<1>,1|N<3>,1|P<4>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.8800	0.000	1	122.8800	0.000	1	121.5565	1.704	6	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH)	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH){1|Re<6>,1|C<3>,1|H<1>}	C(C[5]C[5,6a]2H)(C[6]C[6]2)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	122.7777	0.501	3	122.7777	0.251	3	122.2472	0.759	5	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.4515	0.651	2	121.4515	0.424	2	122.2472	0.759	5	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	119.3427	0.458	3	119.3427	0.210	3	119.3427	0.210	3	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-4:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH)	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH){1|N<2>,2|C<3>}	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.7792	0.255	4	118.7792	0.065	4	118.7792	0.065	4	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH)	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH){1|N<2>,2|C<3>}	C(N[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	120.8875	0.248	4	120.8875	0.061	4	120.8875	0.061	4	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	B[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH)	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH){1|C<4>,2|H<1>,3|C<3>}	C(B[5]C[5,6a]2N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	119.6460	0.000	1	119.6460	0.000	1	119.6460	0.000	1	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	121.1640	0.000	1	121.1640	0.000	1	120.7270	0.382	2	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C(C[6]C[5]C[6]2)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	120.2900	0.000	1	120.2900	0.000	1	120.7270	0.382	2	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	P[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]HH)	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]HH){1|H<1>,2|C<3>}	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	119.6493	0.533	3	119.6493	0.285	3	119.6493	0.285	3	120.6346	1.948	29	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[5]HH)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CC[5]HH){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	118.5020	0.000	1	118.5020	0.000	1	118.5020	0.000	1	121.7013	4.559	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(OC){1|C<4>,1|N<3>,1|O<1>}	122.7677	0.120	3	122.7677	0.014	3	122.7677	0.014	3	121.7013	4.559	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	112.7330	0.000	2	112.7330	0.000	2	114.7613	12.342	3	116.7517	9.749	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[3]HH)	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[3]HH){1|C<4>,4|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.8180	0.000	1	118.8180	0.000	1	114.7613	12.342	3	116.7517	9.749	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	115.2180	0.000	1	115.2180	0.000	1	118.2445	4.338	4	116.7517	9.749	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>}	119.2533	0.632	3	119.2533	0.400	3	118.2445	4.338	4	116.7517	9.749	7	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[3]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[3]HH)	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[3]HH){1|C<4>,4|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	121.6410	0.000	1	121.6410	0.000	1	121.6410	0.000	1	122.2515	0.745	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[5]HH)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CC[5]HH){2|C<3>,2|C<4>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	122.2515	0.745	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO){1|C<4>,1|O<1>,2|H<1>}	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:1:1:	4:4:3:	C[6]-3:C[6]-3:C-4:	C[3]-4:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	128.6460	0.000	2	128.6460	0.000	2	128.6460	0.000	2	128.6460	0.000	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HO)	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	122.3920	0.704	2	122.3920	0.496	2	122.3920	0.496	2	119.2625	13.265	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]O)(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	116.1330	0.352	2	116.1330	0.124	2	116.1330	0.124	2	119.2625	13.265	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]CH)	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]CH){1|C<2>,2|H<1>}	C(C[6]C[6]2Co)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5785	2.405	2	120.5785	5.783	2	120.5785	5.783	2	120.9228	6.847	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]CO){1|C<2>,2|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CC[6a]HO)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.4300	2.014	2	121.4300	4.056	2	121.4300	4.056	2	120.9228	6.847	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.7125	3.266	4	122.7125	10.666	4	122.7125	10.666	4	120.9228	6.847	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-4:C[6]-3:C-4:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	C(N[6]C[6]2H)(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5450	2.257	4	119.5450	5.093	4	119.5450	5.093	4	120.9228	6.847	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	120.9228	6.847	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:2:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3]-4:C[6]-3:P-4:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[3]CP)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[3]CP){1|C<2>,2|H<1>}	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6825	0.861	2	120.6825	0.741	2	120.6825	0.741	2	120.5603	0.415	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]CO)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	120.3160	0.000	1	120.3160	0.000	1	120.3160	0.000	1	120.5603	0.415	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	4:3:4:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC)	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]Rh)(C[6]C[6]N[6])(CH3)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:3:4:	5:3:1:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	B[5]-5:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5]HH)	C(B[5]O[5]2RuH)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5]HH){1|C<3>,1|H<1>,1|N<2>}	C(B[5]O[5]2RuH)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:1:1:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<1>}	119.2510	0.000	1	120.0030	1.131	2	121.6750	8.952	3	123.0613	18.746	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:1:1:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	120.7550	0.000	1	120.0030	1.131	2	121.6750	8.952	3	123.0613	18.746	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:1:1:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<2>}	125.0190	0.000	1	125.0190	0.000	1	121.6750	8.952	3	123.0613	18.746	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:1:1:	3:3:1:	C[6]-3:C-4:N[6]-2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)2	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	123.0613	18.746	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:1:1:	3:3:1:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6]){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	130.0600	0.000	1	130.0600	0.000	1	130.0600	0.000	1	123.0613	18.746	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:1:1:	3:3:1:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]C)(N[6]C[6]S)(H)	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6]){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	C[6](C[6]O[6]C)(N[6]C[6]S)(H){1|C<4>,2|H<1>}	124.5610	0.000	1	124.5610	0.000	1	124.5610	0.000	1	123.0613	18.746	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:3:1:	4:3:1:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	126.5180	0.000	1	126.5180	0.000	1	127.9545	4.127	2	127.9545	4.127	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:3:1:	4:3:1:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	129.3910	0.000	1	129.3910	0.000	1	127.9545	4.127	2	127.9545	4.127	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:3:2:	3:3:1:	C[6]-3:C-4:C[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:3:2:	4:3:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C)	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6]){1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C){1|C<4>,2|H<1>}	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	125.1320	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:4:1:	3:2:1:	C[6]-3:C-4:N[6]-2:	C[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(CC[6a]CH)(N[6]C[6]){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:2:	3:3:4:1:	4:3:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	128.7120	0.000	1	128.7120	0.000	1	128.7120	0.000	1	128.7120	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:1:1:	3:2:1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:O-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){2|C<3>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[6]-3:C-4:C[6]-3:	B[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H)	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C(B[6,6]C[6,6]2N[6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	119.1575	0.114	2	119.1575	0.013	2	120.5897	2.806	4	120.5897	2.806	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[6]-3:C-4:C[6]-3:	B[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Li)(CB[6,6]HH)(C[6]C[6]H)	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>}	C(B[6,6]C[6,6]2O)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	122.3380	0.000	1	122.3380	0.000	1	120.5897	2.806	4	120.5897	2.806	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:1:1:	3:3:1:	N[6]-3:C-4:C[6]-3:	B[6,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ru)(CB[6,6]HH)(C[6]C[6]H)	C(B[6,6]C[6,6]2Ru)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(CB[6,6]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C(B[6,6]C[6,6]2Ru)(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	121.7060	0.000	1	121.7060	0.000	1	120.5897	2.806	4	120.5897	2.806	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:1:1:	4:3:1:	C[6]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	116.4980	0.000	1	116.4980	0.000	1	116.4980	0.000	1	116.4980	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:1:1:	4:3:4:	C[6]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	123.0690	0.000	1	123.0690	0.000	1	123.0690	0.000	1	123.0690	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:2:1:	3:2:1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){1|H<1>,2|C<3>}	118.5840	0.000	1	118.5840	0.000	1	118.5840	0.000	1	118.5840	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	119.7023	0.315	4	119.5148	0.357	13	119.6449	0.566	14	119.6449	0.566	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.4316	0.688	9	119.5148	0.357	13	119.6449	0.566	14	119.6449	0.566	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H){1|O<1>,2|C<3>,3|C<4>}	121.3360	0.000	1	121.3360	0.000	1	119.6449	0.566	14	119.6449	0.566	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.0250	1.321	2	124.0250	1.745	2	123.1710	2.698	5	123.1710	2.698	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5720	0.506	2	121.5720	0.256	2	123.1710	2.698	5	123.1710	2.698	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CH3){3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	124.6610	0.000	1	124.6610	0.000	1	123.1710	2.698	5	123.1710	2.698	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CF3){2|H<1>,4|C<3>}	C(C[6]C[6]2)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|H<1>}	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]FF)(CH3){1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]C[6]2)(H)3	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	126.3210	0.148	2	126.3210	0.022	2	126.3210	0.022	2	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	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>}	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CH3){1|S<4>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	124.8550	0.000	1	124.8550	0.000	1	124.8550	0.000	1	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3){1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	123.6355	0.372	4	123.6355	0.138	4	123.6355	0.138	4	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:S[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3)	C(C[6]C[6]S[6])(H)3	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]S[6])(H)3	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	125.1995	0.614	2	125.1995	0.378	2	125.1995	0.378	2	124.6913	1.223	12	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3){1|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	125.9630	0.000	1	125.9630	0.000	1	125.9630	0.000	1	125.7375	0.102	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]HH)(CH3){1|S<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	125.5120	0.000	1	125.5120	0.000	1	125.5120	0.000	1	125.7375	0.102	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:F-1:F-1:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CF3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(F)3	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	123.4710	0.000	1	123.4710	0.000	1	123.4710	0.000	1	123.2385	0.108	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	3:4:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	123.0060	0.000	1	123.0060	0.000	1	123.0060	0.000	1	123.2385	0.108	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HO)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.1435	0.105	2	122.1435	0.011	2	122.1435	0.011	2	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6]HH)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	123.8210	0.000	1	123.8210	0.000	1	123.8210	0.000	1	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	123.5960	0.000	1	123.5960	0.000	1	122.4565	0.816	4	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	122.0767	0.599	3	122.0767	0.358	3	122.4565	0.816	4	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	123.0020	0.000	1	123.0020	0.000	1	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	121.4050	0.000	1	121.4050	0.000	1	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CO)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H){1|C<2>,1|O<2>,2|H<1>,3|C<4>}	122.4220	0.000	1	122.4220	0.000	1	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	122.5735	0.180	2	122.4044	0.172	5	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	122.2917	0.529	3	122.4044	0.172	5	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|H<1>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	122.3290	0.000	1	122.3290	0.000	1	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	122.1870	0.000	1	122.1870	0.000	1	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	124.4540	0.000	1	124.4540	0.000	1	122.5292	0.613	11	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.2980	0.000	1	121.2980	0.000	1	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.6720	0.000	1	121.9837	0.126	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	122.3690	0.000	1	121.9837	0.126	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.9100	0.000	1	121.9837	0.126	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	120.9415	0.145	2	120.9415	0.021	2	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	122.2995	0.357	2	122.2995	0.128	2	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	121.7140	0.000	1	122.1274	0.075	7	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	122.2600	0.000	1	122.1274	0.075	7	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	122.1940	0.000	1	122.1274	0.075	7	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	121.9480	0.000	1	122.1274	0.075	7	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,5|H<1>}	122.0985	0.142	2	122.1274	0.075	7	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	122.5790	0.000	1	122.1274	0.075	7	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]C)(H){1|S<4>,3|C<4>,3|H<1>}	121.8210	0.000	1	121.8210	0.000	1	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	122.0775	0.644	6	122.0775	0.415	6	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	121.8210	0.197	3	121.8210	0.039	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	122.4830	0.000	1	122.4830	0.000	1	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	123.4270	0.000	1	123.0390	0.301	2	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	122.6510	0.000	1	123.0390	0.301	2	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	123.0150	0.098	2	122.9957	0.006	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<4>}	122.9570	0.000	1	122.9957	0.006	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	123.6670	0.238	3	123.6670	0.057	3	122.2624	0.545	34	122.3574	0.567	53	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:2:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC){1|O<2>,3|C<4>,4|H<1>}	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	124.1550	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	123.7586	0.952	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	124.2220	0.000	1	124.2220	0.000	1	124.2220	0.000	1	123.7586	0.952	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	123.9720	0.535	2	123.9720	0.286	2	124.1483	0.236	3	123.7586	0.952	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6]HO)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	124.5010	0.000	1	124.5010	0.000	1	124.1483	0.236	3	123.7586	0.952	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.9480	0.000	1	123.9480	0.000	1	123.5870	0.261	2	123.8399	0.354	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	123.2260	0.000	1	123.2260	0.000	1	123.5870	0.261	2	123.8399	0.354	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|O<2>,3|C<4>,4|H<1>}	124.8350	0.000	1	124.8350	0.000	1	123.9242	0.410	6	123.8399	0.354	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO){2|C<3>,2|C<4>,4|H<1>}	123.7392	0.592	4	123.7392	0.351	4	123.9242	0.410	6	123.8399	0.354	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO){1|O<2>,3|C<4>,4|H<1>}	123.7530	0.000	1	123.7530	0.000	1	123.9242	0.410	6	123.8399	0.354	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	4:4:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	123.9450	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	6:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<6>,1|N<2>,2|H<1>,3|C<3>,4|B<6>}	C(C[6]C[6]2)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,7|H<1>}	121.0100	0.000	1	121.0100	0.000	1	121.0100	0.000	1	121.0100	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:1:1:1:	6:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	Nb[4x6]-6:C[6]-3:C-4:	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3)	C(C[6]C[6]2)(H)3	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3)	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|N<3>}	C(C[6]C[6]2)(H)3	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<4>,3|C<3>,3|N<3>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]CH)(CHHO){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.2560	0.000	1	123.2560	0.000	1	123.2560	0.000	1	123.2560	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO){1|C<3>,1|C<4>}	C(C[6]C[6]2)(OC)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	122.7220	0.571	2	122.7220	0.326	2	122.7220	0.326	2	122.6527	0.178	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:S-2:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	C(C[6]C[6]2)(SC[5a])(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	C(C[6]C[6]2)(SC[5a])(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	122.6527	0.178	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[4,6]C[4,5,5]C[4,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(CHHO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[4,6]C[4,5,5]C[4,6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.5690	1.873	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]C)(H){2|H<1>,5|C<4>}	122.4350	0.000	1	122.4350	0.000	1	122.4350	0.000	1	122.5690	1.873	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHHO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	121.2440	0.000	1	121.2440	0.000	1	122.8610	5.229	2	122.5690	1.873	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:2:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.4780	0.000	1	124.4780	0.000	1	122.8610	5.229	2	122.5690	1.873	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:N[6]-3:H-1:H-1:	N[4,6]-3:C[6]-3:C-3:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:2:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-3:C-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2)(CN[5]O)(CN)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	121.2620	19.382	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:2:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HO){1|S<4>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	124.3750	0.000	1	124.3750	0.000	1	124.3750	0.000	1	121.2620	19.382	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:2:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	122.4110	0.000	1	122.4110	0.000	1	122.4110	0.000	1	122.4110	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C-4:S[6]-4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO){1|C<4>,2|C<3>}	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	126.3230	0.000	1	126.3230	0.000	1	126.2225	0.020	2	123.8117	17.446	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C-4:S[6]-4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO){2|C<3>}	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	126.1220	0.000	1	126.1220	0.000	1	126.2225	0.020	2	123.8117	17.446	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]HH)(CCCH){2|C<3>,2|H<1>}	C(C[6]C[6]2)(COO)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	123.8117	17.446	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:3:1:	3:3:2:	C[6]-3:C-4:S[6]-4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]N[6]OO){1|C<4>,2|C<3>}	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	126.3050	0.000	1	126.3050	0.000	1	127.1615	1.467	2	127.1615	1.467	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:3:1:	3:3:2:	C[6]-3:C-4:S[6]-4:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO)	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6](C[6]C[6,6a]O)(CC[6a]C[6]H)(S[6]O[6]OO){2|C<3>}	C(C[6]C[6]S[6])2(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	128.0180	0.000	1	128.0180	0.000	1	127.1615	1.467	2	127.1615	1.467	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:3:3:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2H){1|S<4>,4|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	C(C[6]C[6]2)(CClHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	123.8520	0.264	2	123.8520	0.070	2	123.8960	0.202	4	124.0228	0.232	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C(C[6]C[6]2)(CHHI)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	C(C[6]C[6]2)(CHHI)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	123.4260	0.000	1	123.4260	0.000	1	123.8960	0.202	4	124.0228	0.232	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]CH)(CCHH){1|S<4>,4|C<3>}	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	124.4540	0.000	1	124.4540	0.000	1	123.8960	0.202	4	124.0228	0.232	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	124.5300	0.000	1	124.5300	0.000	1	124.5300	0.000	1	124.0228	0.232	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:1:1:	4:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	124.9660	0.000	1	124.9660	0.000	1	124.9660	0.000	1	124.9660	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:1:1:	6:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	122.8815	0.299	2	122.8815	0.089	2	122.8815	0.089	2	122.8815	0.089	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:2:1:	3:3:2:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:O-2:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO)	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CCHO){2|C<3>}	C(C[6]C[6]2)(CCHH)(OSi)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:2:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:O-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	C(C[6]C[6]2)(CH3)(OC)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]2)(CH3)(OC)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|H<1>,3|C<4>}	121.4410	0.802	2	121.4410	0.643	2	121.4410	0.643	2	121.5343	0.348	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	121.7210	0.000	1	121.7210	0.000	1	121.7210	0.000	1	121.5343	0.348	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	123.1840	0.000	1	122.8965	0.165	2	122.3193	1.082	3	122.3372	0.908	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	122.6090	0.000	1	122.8965	0.165	2	122.3193	1.082	3	122.3372	0.908	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	121.1650	0.000	1	121.1650	0.000	1	122.3193	1.082	3	122.3372	0.908	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>,3|H<1>}	122.3640	1.211	2	122.3640	1.465	2	122.3640	1.465	2	122.3372	0.908	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:1:	4:3:4:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCHH)(CH3)(H)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	121.5350	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:2:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO)	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(CCCO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CHHO)(CH3)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:3:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){2|H<1>,4|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.8690	0.000	1	122.8690	0.000	1	122.8690	0.000	1	122.8690	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	3:4:4:4:	3:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)(H){1|In<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4600	0.639	4	120.4600	0.408	4	120.4600	0.408	4	120.4600	0.408	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	3:4:4:	4:3:1:1:	4:3:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH)	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CC[6]HH){2|C<4>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	120.5630	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]F)(N[6]C[6]Ni)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]F)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(F)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	122.6555	0.906	2	122.6555	0.820	2	122.6555	0.820	2	120.3790	2.575	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.2250	0.239	2	117.2250	0.057	2	117.2250	0.057	2	120.3790	2.575	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.5255	0.478	4	120.5255	0.228	4	120.5545	0.226	10	120.3790	2.575	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.4480	0.310	2	120.4480	0.096	2	120.5545	0.226	10	120.3790	2.575	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.6368	0.632	4	120.6368	0.400	4	120.5545	0.226	10	120.3790	2.575	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	118.8244	4.845	36	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	118.8244	4.845	36	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.9818	2.162	34	118.9818	4.675	34	118.9818	4.675	34	118.8244	4.845	36	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	126.2520	0.000	1	126.2520	0.000	1	126.2520	0.000	1	123.0570	4.935	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	4:3:2:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	122.9631	2.183	34	122.9631	4.766	34	122.9631	4.766	34	123.0570	4.935	35	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:1:	4:3:3:	C-4:C[6]-3:C[6]-3:	C[5a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	124.3490	0.000	1	124.3490	0.000	1	124.3490	0.000	1	124.3490	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:2:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:H-1:	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	120.6975	2.907	2	120.6975	8.450	2	121.5433	6.371	3	121.5433	6.371	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:2:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:H-1:	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	123.2350	0.000	1	123.2350	0.000	1	121.5433	6.371	3	121.5433	6.371	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)2(OH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|H<1>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.5950	0.409	2	118.5950	0.167	2	118.5950	0.167	2	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	120.5130	0.171	2	121.2758	0.801	12	122.6997	5.967	24	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	121.4283	0.906	10	121.2758	0.801	12	122.6997	5.967	24	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMo)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMo)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	126.4123	1.779	6	126.4123	3.164	6	122.6997	5.967	24	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.5880	0.316	4	121.5880	0.100	4	122.6997	5.967	24	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:2:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	122.3290	0.262	2	122.3290	0.068	2	122.6997	5.967	24	122.2933	6.703	27	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]2C[6])(C[6]C[6]H)2	C(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](CC[6a]2C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.9764	2.058	12	120.9764	4.236	12	120.9764	4.236	12	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6a]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[5]O)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[5]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	125.5640	0.000	1	125.5640	0.000	1	125.5640	0.000	1	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	123.8920	0.687	2	123.8920	0.472	2	123.8920	0.472	2	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OCu2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OCu2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	124.9607	1.452	6	124.9607	2.110	6	124.7151	1.214	26	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Fe)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OFe2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OFe2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	124.6916	0.623	12	124.6916	0.388	12	124.7151	1.214	26	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OMoH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OMoH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	125.0650	1.607	2	125.0650	2.581	2	124.7151	1.214	26	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Zn)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OZn2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(OZn2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	124.3998	1.533	6	124.3998	2.350	6	124.7151	1.214	26	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:N[5]-3:N[5]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])2(C[6a]C[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	124.3930	0.000	1	124.3930	0.000	1	124.3930	0.000	1	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMoH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(OMoH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	125.2163	1.071	6	125.2163	1.148	6	125.2163	1.148	6	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:3:	3:3:1:	C-4:N[6]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](CN[5a]C[6]N[5])(N[6]C[6]Cr)(C[6]C[6]H)	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CN[5a]C[6]N[5])(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6]C[6]N[6])2(N[5]C[5]N[5])	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	125.7675	1.660	2	125.7675	2.754	2	125.7675	2.754	2	123.8977	4.615	50	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	123.8200	1.205	2	123.8200	1.452	2	123.8200	1.452	2	123.3486	0.698	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H)	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(C[6a]C[6a]2)(NReCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	124.7820	0.865	2	124.7820	0.749	2	124.7820	0.749	2	123.3486	0.698	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	122.4645	0.138	4	122.4645	0.019	4	123.1370	0.417	18	123.3486	0.698	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.1445	0.603	6	123.3714	0.290	12	123.1370	0.417	18	123.3486	0.698	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	123.5983	0.388	6	123.3714	0.290	12	123.1370	0.417	18	123.3486	0.698	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:3:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	123.0755	1.169	2	123.0755	1.366	2	123.1370	0.417	18	123.3486	0.698	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[6]C[6]2Mn)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(N[6]C[6]2Mn)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	121.7125	0.381	2	121.7125	0.145	2	121.7125	0.145	2	121.9507	0.243	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:4:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]2Fe)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	121.9507	0.243	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:3:4:4:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[5]-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](CC[6]N[5]C)(N[6]C[6]Rh)(C[6]C[6]H)	C(C[6]C[6]N[6])2(N[5]C[5]2Rh)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]C)(N[6]C[6]Rh)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(N[5]C[5]2Rh)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	123.6555	0.726	2	123.6555	0.527	2	123.6555	0.527	2	123.6555	0.527	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	3:4:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6a]-3:Si-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]SiH)(C[6]C[6]H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)2(H)	C[6](CC[6a]SiH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(SiC[6a]CC)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.1377	0.449	4	121.1377	0.201	4	121.1377	0.201	4	121.1377	0.201	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	4:3:1:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:O-1:	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	115.6337	3.812	3	115.6337	14.532	3	115.6337	14.532	3	115.6337	14.532	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	4:3:1:1:	3:3:3:	C-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	125.6313	4.211	3	125.6313	17.731	3	125.6313	17.731	3	125.6313	17.731	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	4:3:1:1:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	116.3250	0.000	1	116.3250	0.000	1	116.3250	0.000	1	116.3250	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	4:3:1:1:	4:3:4:	C-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	5:3:2:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[3x3,4,3x5,14x6]-5:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[3x3,4,3x5,14x6]HO)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[3x3,4,3x5,14x6]HO)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.1755	0.262	2	121.1755	0.069	2	121.1755	0.069	2	121.1755	0.069	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	5:3:4:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[3x3,4,3x5,14x6]-5:C[6]-3:N-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[3x3,4,3x5,14x6]HN)(N[6]C[6]Pd)(C[6]C[6]H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(NPdCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[3x3,4,3x5,14x6]HN)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])(NPdCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:1:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.7365	0.517	2	120.7365	0.267	2	120.7365	0.267	2	121.2260	1.965	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:1:1:	3:3:1:	C-4:C[6]-3:N[6]-3:	C[5x3,3x5,11x6]-6:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.3020	0.000	1	121.3020	0.000	1	122.4050	2.433	2	121.2260	1.965	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:1:1:	3:3:1:	C-4:C[6]-3:N[6]-3:	C[5x3,3x5,11x6]-6:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H)	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	123.5080	0.000	1	123.5080	0.000	1	122.4050	2.433	2	121.2260	1.965	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:1:1:	3:3:1:	C-4:C[6]-3:N[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	121.2260	1.965	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:2:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|C<3>,1|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	122.2848	6.333	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:2:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:O-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|C<3>,1|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]2)(OH)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	122.2848	6.333	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:2:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[3x3,3x5,12x6]-6:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[3x3,3x5,12x6]HO)(N[6]C[6]Co)(C[6]C[6]H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[6]C[6]N[6])(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[3x3,3x5,12x6]HO)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[6]C[6]N[6])(OH)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<8>,1|C<3>,1|H<1>}	121.7650	0.000	1	121.7650	0.000	1	121.7650	0.000	1	122.2848	6.333	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:3:	6:3:2:1:	3:3:1:	C-4:N[6]-3:C[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:O-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HO)(N[6]C[6]Co)(C[6]C[6]H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(OCo)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,5x5,20x6]HO)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]N[6])(OCo)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	125.6090	0.000	1	125.6090	0.000	1	125.6090	0.000	1	122.2848	6.333	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	2:3:1:	S[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-2:C[6]-3:H-1:	C[6](S[6]N[5,6]OO)(C[6]N[6]H)(CH3)	C(C[6]C[6]S[6])(H)3	C[6](N[6]C[5,6])(C[6]S[6]C)(H)	C[6](S[6]N[5,6]OO)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]S[6])(H)3	C[6](N[6]C[5,6])(C[6]S[6]C)(H){1|N<3>,1|S<2>,2|O<1>}	124.2810	0.000	1	124.2810	0.000	1	124.2810	0.000	1	124.2810	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:2:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]H)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>}	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	121.7127	1.106	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	120.6690	0.000	1	120.6690	0.000	1	121.7205	2.211	2	121.7127	1.106	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]O[6]HN)(C[6]O[6]H)(CH3){1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	122.7720	0.000	1	122.7720	0.000	1	121.7205	2.211	2	121.7127	1.106	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	C[6](C[6]C[6]HO)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	123.0410	0.000	1	123.0410	0.000	1	125.2720	9.955	2	125.2720	9.955	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:2:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	127.5030	0.000	1	127.5030	0.000	1	125.2720	9.955	2	125.2720	9.955	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[3,5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|P<3>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	C(C[6]C[3,6]C[6])(H)3	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	C(C[6]C[3,6]C[6])(H)3	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	122.4710	0.000	1	122.4710	0.000	1	122.4710	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3)	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	121.4797	0.348	3	121.4797	0.121	3	121.4797	0.121	3	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3)	C(C[6]C[4,6]C[6])(H)3	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[4,6]C[6])(H)3	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[6]C[5,6,6]C)(C[6]O[6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[6]C[5,6,6]C)(C[6]O[6]O)(H){1|O<2>,2|C<4>}	122.5460	0.000	1	122.5460	0.000	1	122.5460	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[5,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]N[5,6]C[5])(C[6]C[5,6]C)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.3925	0.076	2	123.3925	0.006	2	123.3925	0.006	2	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]H)(CH3){2|C<4>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|O<2>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	122.7350	0.000	1	122.7350	0.000	1	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	121.3340	0.000	1	121.4573	0.424	4	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	121.4983	0.791	3	121.4573	0.424	4	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	120.4430	0.000	1	120.3867	0.183	3	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	120.3585	0.600	2	120.3867	0.183	3	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	123.3185	0.385	2	123.3185	0.149	2	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Co<10>,3|C<4>}	123.3565	0.091	2	123.3565	0.008	2	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<7>,3|C<4>}	120.1135	0.443	2	123.1405	2.744	30	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<8>,3|C<4>}	122.3977	2.999	3	123.1405	2.744	30	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<10>,3|C<4>}	123.7434	0.638	20	123.1405	2.744	30	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<7>,3|C<4>}	123.2000	1.090	2	123.1405	2.744	30	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<8>,3|C<4>}	121.8423	3.173	3	123.1405	2.744	30	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,3|C<4>}	120.6850	0.650	8	121.1933	1.484	10	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,3|C<4>}	123.2265	0.267	2	121.1933	1.484	10	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	122.0470	0.000	1	122.0470	0.000	1	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	120.9645	1.081	2	121.4607	1.323	3	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	122.4530	0.000	1	121.4607	1.323	3	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Mo<10>,3|C<4>}	123.4305	0.578	2	123.1388	0.381	12	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Mo<9>,3|C<4>}	123.0804	0.637	10	123.1388	0.381	12	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<8>,3|C<4>}	120.3335	0.508	4	122.1406	2.699	10	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	123.3535	0.279	2	122.1406	2.699	10	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<7>,3|C<4>}	123.6375	0.238	2	122.1406	2.699	10	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<8>,3|C<4>}	123.0450	1.123	2	122.1406	2.699	10	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<13>,3|C<4>}	120.7130	0.014	2	120.2771	0.587	38	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<12>,3|C<4>}	120.3061	0.408	14	120.2771	0.587	38	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<13>,3|C<4>}	119.8731	0.301	10	120.2771	0.587	38	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<14>,3|C<4>}	120.0660	0.471	8	120.2771	0.587	38	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<15>,3|C<4>}	119.8595	0.558	2	120.2771	0.587	38	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<12>,3|C<4>}	122.9195	0.422	2	120.2771	0.587	38	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	122.7440	0.000	1	122.7440	0.000	1	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	122.7310	0.000	1	122.7310	0.000	1	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	120.8380	0.000	1	121.9068	0.404	5	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	122.1740	0.250	4	121.9068	0.404	5	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	119.7840	0.000	1	119.7840	0.000	1	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	123.3950	0.000	1	123.3950	0.000	1	121.7875	2.768	125	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5])(C[6]C[6,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6,6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	121.9246	0.561	5	121.9246	0.315	5	121.9246	0.315	5	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	122.5340	0.000	1	122.5340	0.000	1	121.3027	1.216	6	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	120.2670	0.000	1	120.2670	0.000	1	121.3027	1.216	6	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	121.7060	0.000	1	121.7060	0.000	1	121.3027	1.216	6	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	120.0480	0.000	1	120.0480	0.000	1	121.3027	1.216	6	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	122.5080	0.000	1	121.6305	1.540	2	121.3027	1.216	6	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	120.7530	0.000	1	121.6305	1.540	2	121.3027	1.216	6	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F)	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(F)3	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F){2|C<3>,2|C<4>}	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(F)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	116.5440	0.000	1	116.5440	0.000	1	116.5440	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6,6a]H)(CH3){1|H<1>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	121.9162	0.426	4	121.9162	0.181	4	121.9162	0.181	4	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3){1|N<2>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	123.5270	0.000	1	123.5270	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	122.6140	0.000	1	122.6140	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.6410	0.000	1	122.6410	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|O<2>}	123.6800	0.000	1	122.6655	2.058	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.6510	0.000	1	122.6655	2.058	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	124.0070	0.000	1	124.0070	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	121.6790	0.000	1	121.6790	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.8780	0.373	2	122.8780	0.139	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.5450	0.000	1	122.0702	0.183	5	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.7663	0.141	3	122.0702	0.183	5	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.5070	0.000	1	122.0702	0.183	5	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	119.3510	0.345	2	119.3510	0.119	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	121.2950	0.000	1	121.2950	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	121.6700	0.000	1	122.6136	0.569	5	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	122.8495	0.623	4	122.6136	0.569	5	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	121.0020	0.000	1	121.0020	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.1110	0.290	2	123.1110	0.084	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cr2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Cr2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Cr<7>,1|C<3>,1|H<1>}	117.2650	0.259	4	117.2650	0.067	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Cu<2>,1|C<3>,1|H<1>}	118.1387	1.243	14	118.1387	1.544	14	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CuB)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CuB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Cu<6>,1|B<4>,1|C<4>,1|H<1>}	117.2750	0.000	1	117.2750	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]EuN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]EuN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<3>}	119.7190	0.226	2	119.7190	0.051	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Fe<3>,1|C<3>,1|H<1>}	118.3160	0.653	4	118.3160	0.426	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]FeSi)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]FeSi)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Fe<10>,1|Si<5>,1|C<4>,1|H<1>}	119.2500	0.000	1	119.2500	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	122.2580	0.000	1	122.2580	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	124.2370	0.000	1	121.3960	16.143	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|H<1>}	118.5550	0.000	1	121.3960	16.143	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	121.5065	0.238	2	122.0533	0.925	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,2|H<1>}	123.1470	0.000	1	122.0533	0.925	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	122.1660	0.000	1	122.5712	0.109	8	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	122.7940	0.323	3	122.5712	0.109	8	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	122.5555	0.395	2	122.5712	0.109	8	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	122.4555	0.245	2	122.5712	0.109	8	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	123.2170	0.176	3	123.2170	0.031	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	122.4045	0.071	2	122.4045	0.005	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	122.0715	0.281	2	122.1730	0.078	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	122.0370	0.000	1	122.1730	0.078	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	122.5120	0.000	1	122.1730	0.078	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	115.0645	1.193	2	115.0645	1.423	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,1|H<1>,1|H<2>}	121.2230	0.000	1	121.6465	0.359	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,2|H<1>}	122.0700	0.000	1	121.6465	0.359	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]IrN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]IrN)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<4>}	118.9795	0.443	2	118.9795	0.197	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|La<22>,1|C<4>,1|H<1>,1|N<3>}	119.8720	0.000	1	119.8720	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	117.8580	0.594	2	117.8580	0.353	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<4>}	119.2355	0.155	2	119.2355	0.024	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Mn2)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Mn2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){2|Mn<4>,1|C<3>,1|H<1>}	117.0517	1.261	4	117.0517	1.590	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<13>,1|C<3>,1|H<1>,1|N<3>}	119.3530	2.324	2	119.0343	1.317	6	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	118.8750	0.542	4	119.0343	1.317	6	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NV)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	119.4885	0.040	2	119.4885	0.002	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<4>}	122.3600	0.000	1	122.3600	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>}	121.2880	0.000	1	121.2880	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<3>}	120.4950	0.421	2	120.4950	0.178	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	115.1430	0.901	2	116.1057	3.186	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<4>,1|H<1>}	118.0310	0.000	1	116.1057	3.186	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	122.6540	0.000	1	122.6540	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|B<3>,1|C<4>,1|H<1>}	116.9960	0.000	1	118.0240	0.794	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|B<4>,1|C<4>,1|H<1>}	118.5380	0.048	2	118.0240	0.794	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|H<1>,2|C<4>}	119.0700	0.000	1	119.0700	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|C<4>,2|H<1>}	121.9230	0.000	1	121.9230	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]RhP)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]RhP)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,1|P<4>}	120.5180	0.000	1	120.5180	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]RuC)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	122.3175	0.035	2	122.3175	0.001	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ScN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ScN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	120.6315	0.179	2	120.6315	0.032	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TaN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TaN)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<3>}	119.6345	0.354	2	119.6345	0.126	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	119.2160	0.000	1	118.9306	0.162	7	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	118.8830	0.419	6	118.9306	0.162	7	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ThO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<3>,1|H<1>,1|O<2>}	119.9853	0.794	3	119.9853	0.630	3	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ti<12>,1|C<3>,1|H<1>,1|O<2>}	121.7530	0.025	2	121.7530	0.001	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	120.0480	0.395	2	120.0480	0.156	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<4>,1|H<1>,1|H<2>}	121.9550	0.000	1	121.9550	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>,1|N<3>}	118.4420	0.109	2	118.4818	0.453	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>,1|N<3>}	118.5215	1.158	2	118.4818	0.453	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	120.9660	0.000	1	120.9660	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,2|H<1>}	124.1550	0.000	1	124.1550	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	118.1570	0.000	1	118.1570	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	119.6610	0.000	1	119.6610	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,3|H<1>}	122.7395	0.456	2	122.7395	0.208	2	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,2|H<1>}	124.9040	0.000	1	124.9040	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|S<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	126.3820	0.000	1	126.3820	0.000	1	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<8>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,2|P<4>}	120.9015	0.260	2	121.1767	0.203	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|H<1>,2|P<4>}	121.4520	0.489	2	121.1767	0.203	4	120.2899	5.298	148	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,1|C<4>,2|H<1>}	121.4715	0.110	2	121.4715	0.012	2	121.9260	1.185	5	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	121.4090	0.079	2	121.4090	0.006	2	121.9260	1.185	5	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]PdO)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]PdO)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Pd<5>,1|N<3>,1|O<1>,1|O<2>}	123.8690	0.000	1	123.8690	0.000	1	121.9260	1.185	5	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Al<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Al)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	122.1020	0.411	4	122.1020	0.169	4	123.4667	1.748	15	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	122.5440	0.202	2	122.5440	0.041	2	123.4667	1.748	15	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]OsO)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]N[6]OsO)(C[6]N[6]H)(CH3){1|Os<8>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Os)(C[6]C[6]C)(H){1|Os<8>,1|N<3>,2|O<2>}	125.6990	0.000	1	125.6990	0.000	1	123.4667	1.748	15	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]RhO)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]N[6]RhO)(C[6]N[6]H)(CH3){1|Rh<9>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|Dy<12>,1|Rh<9>,1|N<3>,2|O<2>}	124.4447	0.745	4	124.1006	0.939	8	123.4667	1.748	15	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]RhO)(C[6]N[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]N[6]RhO)(C[6]N[6]H)(CH3){1|Rh<9>,1|C<4>}	C(C[6]C[6]2)(H)3	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|Er<12>,1|Rh<9>,1|N<3>,2|O<2>}	123.7565	1.149	4	124.1006	0.939	8	123.4667	1.748	15	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:1:	N[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]ThO)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]ThO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Th<19>,1|C<4>,1|H<1>,1|O<2>}	124.5090	0.000	1	124.5090	0.000	1	124.5090	0.000	1	121.1275	5.092	322	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN){2|C<3>,2|C<4>}	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	121.5030	0.000	1	121.5030	0.000	1	122.1475	0.241	4	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	122.5300	0.024	2	122.5300	0.001	2	122.1475	0.241	4	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH){1|C<4>,3|C<3>}	122.0270	0.000	1	122.0270	0.000	1	122.1475	0.241	4	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|H<1>,3|C<4>}	119.5775	1.067	2	119.5775	1.139	2	119.6793	0.600	3	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|C<4>,3|H<1>}	119.8830	0.000	1	119.8830	0.000	1	119.6793	0.600	3	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,2|H<1>}	120.9790	1.492	2	120.9790	2.226	2	120.9790	2.226	2	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]){1|C<4>,4|H<1>}	124.3468	0.401	9	124.3468	0.161	9	124.3468	0.161	9	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CH3){6|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	124.5550	0.000	1	124.5550	0.000	1	124.5550	0.000	1	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(CH3){1|C<4>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	121.7705	0.350	2	121.7705	0.123	2	121.7705	0.123	2	122.6412	3.406	22	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO){1|C<3>,3|C<4>}	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|Fe<10>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	125.4100	0.000	1	125.4100	0.000	1	125.4100	0.000	1	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	122.2075	1.484	2	122.2075	2.203	2	122.2075	2.203	2	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	122.2480	0.000	1	122.2480	0.000	1	122.2480	0.000	1	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(CH3){4|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	126.4945	0.592	2	126.4945	0.350	2	126.4945	0.350	2	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	124.3040	0.000	1	124.3040	0.000	1	125.2438	5.049	4	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	122.5620	0.000	1	122.5620	0.000	1	125.2438	5.049	4	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|H<1>}	126.5480	0.000	1	126.5480	0.000	1	125.2438	5.049	4	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|H<1>,1|N<3>,2|C<4>}	127.5610	0.000	1	127.5610	0.000	1	125.2438	5.049	4	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO){1|C<4>,4|H<1>}	123.8830	0.000	1	123.8830	0.000	1	123.8830	0.000	1	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3){1|C<4>,1|S<4>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	124.1980	0.000	1	124.1980	0.000	1	124.1980	0.000	1	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|O<2>,5|C<3>}	123.7420	0.000	1	123.7420	0.000	1	123.7420	0.000	1	124.5957	3.778	14	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3)	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	119.5018	0.458	4	119.5018	0.209	4	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	124.6595	0.453	2	124.6595	0.205	2	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	121.3740	0.776	6	121.3936	0.635	8	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	122.2960	0.000	1	121.3936	0.635	8	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	120.6090	0.000	1	121.3936	0.635	8	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	122.6958	0.983	4	122.6958	0.967	4	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	121.2260	0.000	1	120.8830	0.235	2	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	120.5400	0.000	1	120.8830	0.235	2	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	121.9960	0.000	1	121.6773	0.121	4	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	121.9210	0.000	1	121.6773	0.121	4	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	121.5420	0.000	1	121.6773	0.121	4	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	121.2500	0.000	1	121.6773	0.121	4	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	123.3146	1.232	14	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	123.6305	0.094	2	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	121.6902	0.938	16	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	121.8855	1.240	16	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	121.7890	0.000	1	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<4>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	119.9640	0.000	1	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	121.0421	0.650	14	121.9878	1.743	64	121.8744	1.886	88	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]B[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	122.2575	0.057	2	122.2575	0.003	2	122.2575	0.003	2	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	122.8500	0.000	1	122.8500	0.000	1	124.0068	0.753	9	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	123.8690	0.494	4	123.8690	0.244	4	124.0068	0.753	9	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	123.0680	0.000	1	123.0680	0.000	1	124.0068	0.753	9	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	124.9910	0.774	2	124.9910	0.598	2	124.0068	0.753	9	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO){1|C<4>,2|H<1>}	124.6850	0.000	1	124.6850	0.000	1	124.0068	0.753	9	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	124.1820	0.000	1	124.1820	0.000	1	124.1820	0.000	1	122.0605	2.168	102	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[3,5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H){5|C<4>}	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[3,6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3)	C(C[6]C[3,6,6]C[6])(H)3	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[3,6,6]C[6])(H)3	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	123.1163	0.582	3	123.1163	0.338	3	123.1163	0.338	3	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,2|H<1>,5|C<4>}	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3x6]C)(C[6]C[6]CH)(H){1|H<1>,1|O<2>,3|C<4>}	121.1160	0.000	1	121.1160	0.000	1	121.1160	0.000	1	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[4,6]C[6])(H)3	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[4,6]C[6])(H)3	C[6](C[6]C[4,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	123.2085	0.542	2	123.2085	0.294	2	123.2085	0.294	2	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]O[6])(C[6]C[6]H)(CH3){2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[6]C[5,6,6]C)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,1|O<2>}	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,6|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H){1|C<3>,2|C<4>,2|H<1>}	123.7110	0.000	1	123.7110	0.000	1	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	119.4120	0.000	1	119.4120	0.000	1	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	122.9730	0.000	1	122.9365	0.003	2	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	122.9000	0.000	1	122.9365	0.003	2	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	122.9800	0.000	1	122.5710	0.514	14	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	122.6444	0.863	5	122.5710	0.514	14	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.4740	0.701	8	122.5710	0.514	14	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	123.4790	0.000	1	123.4790	0.000	1	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	121.7380	0.000	1	121.7380	0.000	1	122.5103	1.036	20	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	122.5325	0.155	2	122.5325	0.024	2	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	118.3460	0.052	2	119.5440	0.982	9	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	119.8863	0.833	7	119.5440	0.982	9	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,3|C<4>}	120.7480	1.100	2	120.9317	0.264	8	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	120.9930	0.332	6	120.9317	0.264	8	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	120.6210	0.000	1	120.5430	0.012	2	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	120.4650	0.000	1	120.5430	0.012	2	120.4524	1.384	21	121.6576	2.226	49	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(CN){2|C<4>,3|H<1>}	123.6870	0.000	1	123.6870	0.000	1	123.6870	0.000	1	123.2315	0.415	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:2:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OC){2|C<4>,3|H<1>}	122.7760	0.000	1	122.7760	0.000	1	122.7760	0.000	1	123.2315	0.415	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	125.3010	0.000	1	125.3010	0.000	1	125.3010	0.000	1	125.3010	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCCH){1|O<2>,2|C<4>,2|H<1>}	121.8540	0.000	1	121.8540	0.000	1	123.4194	2.848	5	123.4194	2.848	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	125.0360	0.000	1	125.0360	0.000	1	123.4194	2.848	5	123.4194	2.848	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.3580	0.000	1	121.3580	0.000	1	123.4194	2.848	5	123.4194	2.848	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	124.5980	0.000	1	124.5980	0.000	1	123.4194	2.848	5	123.4194	2.848	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	3:4:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CC[6a]HO){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	124.2510	0.000	1	124.2510	0.000	1	123.4194	2.848	5	123.4194	2.848	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	C(C[6]C[3,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[3,6]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	122.8390	0.000	1	122.8390	0.000	1	122.8390	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3)	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[3x6]C[6])(H)3	C[6](C[6]C[3x6]HH)(C[6]C[3x6]C)(H){1|C<3>,1|H<1>,3|C<4>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3)	C(C[6]C[5,5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H)	C[6](C[5,5,6]C[5,6,6]C[5,5]O[5])(C[6]C[5,6]H)(CH3){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H){1|H<1>,1|O<2>,4|C<4>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6,6]C)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6,6]C[6])(H)3	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[5,6,6]C)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	123.1425	0.108	2	123.1425	0.012	2	123.1425	0.012	2	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,5,6]H)(CH3){1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,5,6]C[3x5]C[5,6]O[5])(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	122.8260	0.453	2	122.8260	0.205	2	122.8260	0.205	2	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	121.3950	0.000	1	121.3950	0.000	1	121.5615	0.055	2	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3){2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C)(H){4|C<4>,4|H<1>}	121.7280	0.000	1	121.7280	0.000	1	121.5615	0.055	2	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,5,6]C[3]H)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	123.1050	0.000	1	123.1050	0.000	1	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,5,6]HO)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	123.2940	0.000	1	123.2940	0.000	1	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.5280	0.000	1	122.5280	0.000	1	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	124.1450	0.000	1	124.1450	0.000	1	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(CH3){1|N<3>,3|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]C)(H){1|C<4>,3|C<3>}	121.3420	0.000	1	121.3420	0.000	1	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	119.9030	0.000	1	120.7310	1.371	2	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	121.5590	0.000	1	120.7310	1.371	2	122.2680	2.050	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,4|H<1>}	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]C)(H){1|H<1>,4|C<4>}	122.0505	0.218	2	122.0505	0.048	2	122.4390	0.477	3	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H){2|H<1>,3|C<4>}	123.2160	0.000	1	123.2160	0.000	1	122.4390	0.477	3	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,3|C<4>}	120.3260	0.187	2	120.3260	0.035	2	119.8070	0.400	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:Br-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH)	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CBrHH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(Br)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	119.2880	0.296	2	119.2880	0.087	2	119.8070	0.400	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CClHH){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	120.4165	1.306	2	120.4165	1.706	2	120.2103	0.650	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	120.1980	0.000	1	120.1980	0.000	1	120.2103	0.650	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH)	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CClHH){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2)(Cl)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	119.8100	0.000	1	119.8100	0.000	1	120.2103	0.650	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	122.2770	0.000	1	122.2770	0.000	1	122.2770	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[4,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<4>}	121.9150	0.000	1	121.9150	0.000	1	123.0968	0.646	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	123.4907	0.194	3	123.4907	0.037	3	123.0968	0.646	4	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,5,6]H)(CH3){1|H<1>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H){1|H<1>,2|O<2>,5|C<4>}	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,4|H<1>}	122.6660	0.000	3	122.6660	0.000	3	122.8727	0.487	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	123.6895	0.153	2	123.6895	0.024	2	122.8727	0.487	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	121.6870	0.000	1	121.6870	0.000	1	122.8727	0.487	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	123.0450	0.000	1	123.0450	0.000	1	122.8727	0.487	7	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[3]C[6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.7697	1.413	3	121.7697	1.998	3	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	123.6080	0.000	1	123.6080	0.000	1	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	123.7198	0.209	4	123.7198	0.044	4	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	120.8170	0.000	1	120.8170	0.000	1	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|H<1>,4|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|B<4>,1|C<4>,6|H<1>}	122.3885	0.088	2	122.3885	0.008	2	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	122.5842	0.412	8	122.5842	0.170	8	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.1110	0.000	1	122.3822	0.034	4	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.4475	0.028	2	122.3822	0.034	4	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.5230	0.000	1	122.3822	0.034	4	122.5910	0.772	23	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl)	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]C)(Cl){1|P<4>,4|H<1>}	124.7180	0.000	1	124.7180	0.000	1	124.7180	0.000	1	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	120.5880	0.000	1	120.5880	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	123.0170	0.494	2	123.0170	0.244	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6,6]HO)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	123.9870	0.000	1	123.9870	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.4150	0.409	4	122.8689	0.300	9	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	123.2320	0.321	5	122.8689	0.300	9	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HN)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	123.1580	0.000	1	123.1580	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	121.8945	0.442	2	121.8945	0.195	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|Fe<10>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|Fe<10>,2|C<4>,2|H<1>}	121.7280	0.000	1	121.7280	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	122.1670	0.000	1	122.1670	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	122.8810	0.000	1	122.8810	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.5670	0.000	1	124.5670	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	123.3660	0.000	1	123.3660	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	120.4618	0.631	5	120.4618	0.398	5	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.5300	0.163	2	121.5300	0.026	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.9128	0.577	6	122.8991	0.221	9	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.8810	0.000	1	122.8991	0.221	9	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	122.6450	0.000	1	122.8991	0.221	9	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	123.0890	0.000	1	122.8991	0.221	9	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	123.8700	0.000	1	123.8700	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	122.6020	0.000	1	122.6020	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	125.3520	0.086	2	125.3520	0.007	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.9085	0.500	4	120.9085	0.250	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.7790	0.013	2	120.7790	0.000	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.5210	0.000	2	122.2890	2.024	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	121.0570	0.000	2	122.2890	2.024	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.4920	0.000	1	121.4920	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	126.2030	0.000	1	126.2030	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.5320	0.000	1	120.9937	1.607	7	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,2|C<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<2>,2|C<4>}	120.0190	0.000	1	120.9937	1.607	7	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.5570	0.000	1	120.9937	1.607	7	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,2|C<4>,2|H<1>}	119.9260	0.000	1	120.9937	1.607	7	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.8125	1.780	2	120.9937	1.607	7	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	120.2970	0.000	1	120.9937	1.607	7	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.5750	0.000	1	121.5750	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,1|C<4>,1|C<6>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,3]C[6]H)(C[6]C[6]C)(H){1|Pd<5>,1|C<2>,1|C<3>,2|C<1>,2|H<1>,3|C<4>}	123.7880	0.000	1	123.7880	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	122.4280	0.320	2	122.4280	0.102	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	122.8220	0.000	1	122.8220	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.0220	0.000	1	122.3897	0.204	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	122.8940	0.000	1	122.3897	0.204	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.2530	0.000	1	122.3897	0.204	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.7055	0.285	2	122.7055	0.081	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Pd<5>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	119.8430	0.000	1	120.8960	2.218	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	121.9490	0.000	1	120.8960	2.218	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.7570	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.5670	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2620	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	119.1830	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.3320	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	120.0980	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.3618	1.196	4	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	122.7150	0.000	1	121.8510	1.818	11	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	122.5370	0.227	3	122.2288	0.414	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	121.3040	0.000	1	122.2288	0.414	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	123.0390	0.000	1	123.0390	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[5]H)(C[6]C[6]C)(H){1|N<3>,3|C<4>,3|H<1>}	122.1170	0.000	1	122.1170	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|N<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.2070	0.000	1	123.2070	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	121.2880	0.109	2	121.6740	0.269	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	122.0600	0.445	2	121.6740	0.269	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	122.8075	0.136	2	122.8075	0.019	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	124.5540	0.137	2	124.5540	0.019	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<4>}	122.1390	0.000	1	122.1390	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7905	0.571	2	123.7905	0.326	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<4>,2|H<1>}	123.4470	0.000	1	123.4470	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	123.3670	0.000	1	123.3670	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	122.9330	0.000	2	122.9330	0.000	2	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	122.6990	0.216	2	122.7050	0.024	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.7170	0.000	1	122.7050	0.024	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.1325	0.424	4	123.1325	0.180	4	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]C)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HP)(C[6]C[6]C)(H){1|Pd<5>,2|C<4>,2|H<1>}	121.2760	0.000	1	121.2760	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	122.2260	0.190	3	122.2260	0.036	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	124.1870	0.000	1	124.1870	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	124.0740	0.000	1	124.0740	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<4>}	126.3703	0.151	3	126.3703	0.023	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(H){1|O<2>,2|H<1>}	125.1020	0.000	1	125.1020	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]P[6,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	121.9100	0.000	1	121.9100	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	123.9775	0.893	2	123.7147	0.606	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]B[6]HH)(C[6]C[6]C)(H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(CH3){1|B<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]B[6]HH)(C[6]C[6]C)(H){1|P<4>,2|C<3>,2|H<1>}	123.1890	0.000	1	123.7147	0.606	3	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>}	123.0540	0.000	1	123.0540	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]S[6]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>,2|S<2>}	121.2890	0.000	1	121.2890	0.000	1	122.5239	1.963	128	122.4263	1.859	195	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OSi){1|C<4>,2|C<3>,4|H<1>}	122.8635	0.479	2	122.8635	0.229	2	123.6545	0.911	4	123.6545	0.911	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	124.4700	0.000	1	124.4700	0.000	1	123.6545	0.911	4	123.6545	0.911	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HN)(C[6]C[6]C)(OC){1|N<3>,2|H<1>}	124.4210	0.000	1	124.4210	0.000	1	123.6545	0.911	4	123.6545	0.911	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	124.9280	0.000	1	124.9280	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	126.2710	0.000	1	126.2710	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	122.7670	0.000	1	122.7670	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	123.4340	0.000	1	123.4340	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	124.2390	0.000	1	124.2390	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO){1|C<4>,2|H<1>,2|O<2>}	124.0920	0.000	1	124.0920	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	124.5160	0.303	7	124.5160	0.092	7	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	124.6260	0.000	1	124.6260	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO){1|C<4>,1|N<3>,3|H<1>}	125.4070	0.257	2	125.4070	0.066	2	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	124.8480	0.000	1	124.8480	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC){1|C<4>,2|H<1>}	124.2200	0.000	1	124.2200	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	124.3440	0.000	1	124.3440	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	124.4660	0.000	1	124.4660	0.000	1	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|H<1>,3|C<3>}	123.9320	0.706	2	123.9320	0.498	2	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	124.7733	0.662	7	124.7733	0.438	7	124.5496	0.515	29	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HO)(C[6]C[6]C)(NHS){1|C<4>,4|H<1>}	123.5430	0.000	1	123.5430	0.000	1	123.5430	0.000	1	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3)	C(C[6]C[6]2)(H)3	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|H<1>}	122.9020	0.000	1	122.9020	0.000	1	122.9020	0.000	1	124.4640	0.597	31	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5]-4:C[6]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	C(C[6]C[5,6]C[6])(H)3	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C(C[6]C[5,6]C[6])(H)3	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	126.2525	0.413	4	126.2525	0.170	4	126.2525	0.170	4	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|As<3>,1|C<4>,1|W<6>,2|H<1>}	125.2495	0.063	2	125.2495	0.004	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|B<4>,2|C<4>,2|H<1>}	121.2100	0.000	1	121.2100	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.5150	0.095	2	124.1810	0.185	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	124.0720	0.000	1	124.1810	0.185	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	123.6220	0.000	1	124.1810	0.185	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.0030	0.000	1	124.0030	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	124.4220	0.000	1	124.9327	0.254	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,1|S<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	125.4290	0.000	1	124.9327	0.254	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,2|H<1>}	124.9470	0.000	1	124.9327	0.254	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(CH3){2|C<3>,2|H<1>}	123.8690	0.031	2	123.8690	0.001	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<3>,1|C<4>,3|H<1>}	123.0230	0.000	1	123.0230	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	124.3925	0.988	2	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	123.1860	0.000	1	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	124.4195	0.042	2	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	123.8380	0.000	1	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	124.3580	0.014	2	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	124.4240	0.000	1	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	124.9530	0.000	1	124.2741	0.324	10	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	125.3290	0.000	1	125.3290	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	123.1280	0.000	1	123.7735	0.833	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	124.4190	0.000	1	123.7735	0.833	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	125.2070	0.000	1	123.1565	4.488	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	122.9375	2.562	2	123.1565	4.488	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	121.5440	0.000	1	123.1565	4.488	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	124.7400	0.000	1	124.7400	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	124.8360	0.000	1	124.8360	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	125.6960	0.000	1	125.6960	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,2|C<2>,2|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	125.4050	0.000	1	125.4050	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,4|H<1>}	124.8773	0.340	4	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	124.1930	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|H<1>}	125.3750	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	124.3720	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	124.4770	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<4>,2|H<1>}	123.7620	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	124.5130	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	124.1880	0.429	4	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Hf<11>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Hf<11>,1|C<4>,1|N<3>,2|H<1>}	125.4183	0.297	4	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<11>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<11>,1|C<4>,1|N<3>,2|H<1>}	125.2545	0.376	4	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<14>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Zr<14>,1|C<4>,1|O<2>,2|H<1>}	123.0957	1.057	4	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	124.5710	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|C<4>,3|H<1>}	124.6580	0.000	1	124.5449	0.772	28	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<4>,4|H<1>}	125.8430	0.000	1	125.8430	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|S<4>,2|H<1>}	124.4240	0.000	1	124.4240	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	124.8300	0.000	1	124.8300	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|W<6>,2|C<4>,2|H<1>}	122.7940	0.000	1	122.7940	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	123.5130	0.000	1	122.9052	0.359	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>}	123.3130	0.000	1	122.9052	0.359	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>,2|O<1>}	122.3975	0.165	2	122.9052	0.359	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|Si<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	122.7720	1.223	2	122.7720	1.496	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	123.9090	0.000	1	123.9090	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	125.1666	0.907	9	125.1766	0.677	11	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	125.2220	0.434	2	125.1766	0.677	11	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	123.4940	0.000	1	123.4940	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]IrC)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]IrC)(C[6]C[6]C)(CH3){3|C<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]IrC)(C[6]C[6]C)(CH3){3|C<4>}	126.4420	1.549	2	126.4420	2.398	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	122.6160	0.000	1	122.6160	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]Ge[3,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|Ge<4>,2|H<1>}	121.1195	0.398	6	121.1195	0.159	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,3|H<1>}	126.2310	0.000	1	126.2310	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	126.1290	0.000	1	126.1290	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|C<4>,2|H<1>}	125.2285	0.267	2	125.2285	0.071	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	123.7880	0.000	1	123.7877	2.130	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	126.4840	0.000	1	123.7877	2.130	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	123.1300	0.895	2	123.7877	2.130	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	123.0970	0.871	2	123.7877	2.130	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,3|H<1>}	126.0160	0.000	1	126.0160	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	125.7980	0.000	1	125.7980	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[3,6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	124.3360	0.403	2	124.3360	0.162	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[4,6]AlSi)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]AlSi)(C[6]C[6]C)(CH3)	C[6](C[6]P[4,6]AlSi)(C[6]C[6]C)(CH3){1|Si<4>,2|P<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]AlSi)(C[6]C[6]C)(CH3){1|Si<4>,2|P<3>}	123.8955	0.170	2	123.8955	0.029	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[4,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	124.3118	0.823	4	124.3118	0.677	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,1|S<2>,3|H<1>}	126.1480	0.000	1	125.8507	0.079	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	125.5900	0.000	1	125.8507	0.079	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	125.8140	0.000	1	125.8507	0.079	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|P<4>,2|H<1>}	126.7950	0.215	3	126.7950	0.046	3	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,1|P<3>,2|H<1>}	123.2130	0.000	1	123.3400	0.032	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|N<3>,1|P<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	123.4670	0.000	1	123.3400	0.032	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|As<3>,1|C<4>,1|W<6>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]As[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	125.1240	0.040	2	125.1240	0.002	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|P<4>,2|H<1>}	125.2290	0.322	8	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	125.8440	0.064	2	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<4>,2|H<1>}	124.5545	0.446	2	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|S<1>,2|H<1>}	125.0375	1.029	4	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,1|W<6>,2|H<1>}	124.4905	0.966	4	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,1|P<3>,2|H<1>}	125.5375	0.729	2	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,1|C<4>,1|P<4>,2|H<1>}	124.7439	0.430	15	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Ni<4>,1|C<4>,1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6,6]HH)(C[6]C[6]C)(CH3){1|Ni<4>,1|C<4>,1|P<4>,2|H<1>}	124.1119	1.117	8	124.7971	0.638	45	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|B<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]B[5,6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|C<3>,2|H<1>}	123.8580	0.000	1	123.8580	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|W<6>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|P<4>,3|H<1>}	123.0320	0.000	1	123.0320	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	122.9490	0.000	1	123.6308	1.830	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|Mo<6>,2|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<4>}	123.0750	0.884	2	123.6308	1.830	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|P<3>,1|P<4>,2|H<1>}	126.0590	0.000	1	123.6308	1.830	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|N<3>}	C(C[6]C[6]2)(H)3	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){2|H<1>,2|P<3>}	123.3135	1.091	2	123.6308	1.830	6	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|P<3>,2|H<1>}	125.6195	1.808	2	125.6195	3.269	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<2>,1|W<6>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|H<1>}	126.2220	0.000	1	126.2220	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<4>,2|C<4>,2|H<1>}	124.8795	0.921	2	124.7750	0.308	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<2>,2|C<4>,2|H<1>}	124.5480	0.000	1	124.7750	0.308	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|S<3>,2|C<4>,2|H<1>}	124.7930	0.000	1	124.7750	0.308	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|P<4>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]P[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|S<2>,1|W<6>,2|H<1>}	125.2280	0.000	1	125.2280	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Ru<6>,1|S<3>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]S[6]HH)(C[6]C[6]C)(CH3){1|Ru<6>,1|S<3>,2|H<1>}	124.2392	1.866	4	124.2392	3.483	4	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|Si<4>,2|C<3>,2|H<1>}	126.4580	0.000	1	126.4580	0.000	1	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:1:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]Si[6]HH)(C[6]C[6]C)(CH3){1|Si<4>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|Si<4>,1|N<3>,2|H<1>}	123.0095	0.869	2	123.0095	0.755	2	124.4429	1.653	193	124.4797	1.687	197	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO)	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	C(C[6]C[6,6]C[6])(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6])(OC)(H)2	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br){2|C<4>,3|O<2>}	124.5190	0.000	1	124.5190	0.000	1	124.5190	0.000	1	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:F-2:F-1:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3)	C(C[6]C[6]2)(FLi)(F)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(FLi)(F)2	C[6](C[6]C[6]C)2(H){2|Li<5>,1|C<3>,1|H<1>}	116.5825	1.087	4	116.5825	1.182	4	116.5825	1.182	4	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO)	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,2|O<2>}	124.5380	0.000	1	124.5380	0.000	1	124.5380	0.000	1	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	122.3260	0.000	1	122.3260	0.000	1	121.0585	1.690	23	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	124.0620	0.000	1	124.0620	0.000	1	121.0585	1.690	23	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	120.6860	0.000	1	120.6860	0.000	1	121.0585	1.690	23	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<9>}	120.9900	0.942	4	120.9279	1.599	16	121.0585	1.690	23	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	120.9072	1.392	12	120.9279	1.599	16	121.0585	1.690	23	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<4>,2|C<3>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|U<10>,1|H<1>,1|O<2>,3|C<3>}	120.6063	0.670	4	120.6063	0.449	4	121.0585	1.690	23	120.6606	4.867	30	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	C(C[6]C[5,6]C[6])(OD)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6])(OD)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	125.3240	0.000	1	125.3240	0.000	1	125.3240	0.000	1	125.3240	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:4:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>}	123.8840	0.000	1	123.8840	0.000	1	123.8840	0.000	1	121.0910	3.786	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CHHO){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	120.3928	1.341	4	120.3928	1.798	4	120.3928	1.798	4	121.0910	3.786	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:4:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHHO){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(CH3){2|H<1>,3|C<4>}	119.5690	0.000	1	119.5690	0.000	1	121.7020	1.853	5	121.7020	1.853	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	3:4:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHHO){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	122.2353	0.758	4	122.2353	0.575	4	121.7020	1.853	5	121.7020	1.853	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO)	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO)	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CHHO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6])(OH)(H)2	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]C)(H){2|H<1>,4|C<4>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	123.7190	0.000	1	123.7190	0.000	1	123.7190	0.000	1	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	123.1870	0.000	1	123.1870	0.000	1	121.0020	3.778	7	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	122.1865	0.804	2	122.1865	0.646	2	121.0020	3.778	7	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CHHO){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	120.9075	0.914	2	120.9075	0.836	2	121.0020	3.778	7	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	117.3950	0.000	1	117.3950	0.000	1	121.0020	3.778	7	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	120.2440	0.000	1	120.2440	0.000	1	121.0020	3.778	7	121.2082	3.488	10	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:S-2:	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO)	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC)	C[6](C[6]C[6]CH)(C[6]C[6]S)(CHHO){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(OC)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,2|H<1>}	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	122.1850	0.000	1	122.8825	0.973	2	122.8733	0.487	3	122.8733	0.487	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	123.5800	0.000	1	122.8825	0.973	2	122.8733	0.487	3	122.8733	0.487	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OSi)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O){1|C<4>,1|O<2>,3|H<1>}	122.8550	0.000	1	122.8550	0.000	1	122.8733	0.487	3	122.8733	0.487	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(OSi)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	123.4333	2.743	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<4>,4|H<1>}	C(C[6]C[6]2)(OC[6a])(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	122.6570	0.000	1	122.6570	0.000	1	123.9960	3.586	2	123.4333	2.743	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:2:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHHO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	125.3350	0.000	1	125.3350	0.000	1	123.9960	3.586	2	123.4333	2.743	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	125.6560	0.000	1	125.6560	0.000	1	125.6560	0.000	1	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	119.9897	1.043	19	119.9897	1.088	19	119.9895	0.901	23	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<4>,2|C<3>}	C(C[6]C[6]2)2(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|U<10>,1|H<1>,1|O<2>,3|C<3>}	119.9883	0.282	4	119.9883	0.079	4	119.9895	0.901	23	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	124.1150	0.000	1	124.1150	0.000	1	122.4040	5.855	2	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2)(N[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	120.6930	0.000	1	120.6930	0.000	1	122.4040	5.855	2	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OCU)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2)(OCU)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<9>}	121.6977	1.443	4	121.9361	1.332	8	121.9361	1.332	8	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OCU)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C(C[6]C[6]2)(OCU)(H)2	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	122.1745	0.935	4	121.9361	1.332	8	121.9361	1.332	8	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:S-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS)	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(SCO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	123.5200	0.000	1	123.5200	0.000	1	123.5200	0.000	1	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<5>}	120.5902	0.439	4	120.5902	0.192	4	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	121.0380	0.000	1	121.0380	0.000	1	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<5>}	120.3875	1.262	2	120.2065	0.750	4	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	120.0255	0.725	2	120.2065	0.750	4	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	119.1680	0.000	1	119.1680	0.000	1	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<3>}	120.9645	0.730	2	121.1422	0.803	4	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	121.3200	1.322	2	121.1422	0.803	4	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<3>}	121.3190	1.792	2	121.3190	3.211	2	120.6625	0.897	16	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|Si<3>,1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	123.6400	0.000	1	123.6400	0.000	1	121.8083	1.569	4	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.1977	0.342	3	121.1977	0.117	3	121.8083	1.569	4	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|H<1>,4|C<4>}	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	121.0490	0.000	1	121.0490	0.000	1	121.0490	0.000	1	120.8797	2.103	58	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[5a]HH){4|C<3>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|O<2>,2|H<1>,3|C<3>}	123.8740	0.000	1	123.8740	0.000	1	123.8740	0.000	1	122.6090	3.200	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,1|H<1>,2|C<2>}	121.3440	0.000	1	121.3440	0.000	1	121.3440	0.000	1	122.6090	3.200	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:4:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	123.5005	3.962	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:F-1:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF)	C(C[6]C[6]2)(CC[6]O)(F)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CC[6]O)(F)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	122.0930	0.000	1	122.0930	0.000	1	122.0930	0.000	1	123.5005	3.962	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	119.9570	0.000	1	119.9570	0.000	1	120.7740	1.335	2	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C(C[6]C[6]2)(COO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	121.5910	0.000	1	121.5910	0.000	1	120.7740	1.335	2	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,3|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	124.5760	0.000	1	123.2240	3.656	2	122.1130	3.725	4	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.8720	0.000	1	123.2240	3.656	2	122.1130	3.725	4	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(NCS)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	122.1380	0.000	1	122.1380	0.000	1	122.1130	3.725	4	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NOO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NOO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,3|H<1>}	119.8660	0.000	1	119.8660	0.000	1	122.1130	3.725	4	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[5]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH)	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[5]HH){1|C<3>,3|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]HH){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	121.3120	0.000	1	121.3120	0.000	1	121.3120	0.000	1	121.2574	3.173	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:3:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO){2|C<4>,2|H<1>,3|C<3>}	126.6490	0.000	1	126.6490	0.000	1	126.6490	0.000	1	126.6490	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[5,6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	123.7313	3.042	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CNO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	125.0010	0.000	1	125.0010	0.000	1	124.0337	4.014	3	123.7313	3.042	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	121.7300	0.000	1	121.7300	0.000	1	124.0337	4.014	3	123.7313	3.042	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	125.3700	0.000	1	125.3700	0.000	1	124.0337	4.014	3	123.7313	3.042	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]O[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HO){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)(H)	C[6](C[6]O[6]HO)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>}	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH)	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CNO)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	120.1489	2.238	9	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CC[6]O)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	119.6554	0.993	5	119.6554	0.986	5	119.7978	1.289	8	120.1489	2.238	9	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CC[6]O)(OH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	120.0350	1.551	3	120.0350	2.405	3	119.7978	1.289	8	120.1489	2.238	9	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	124.1030	0.000	1	124.1030	0.000	1	122.8165	3.310	2	122.8165	3.310	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H)	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Mg<6>,1|C<3>,2|H<1>}	121.5300	0.000	1	121.5300	0.000	1	122.8165	3.310	2	122.8165	3.310	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]3)	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]3){1|C<3>,1|C<4>,1|C<5>}	C(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH)	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]CH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	119.8380	0.553	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]CH){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	119.8380	0.553	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:4:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCHO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	125.9600	0.000	1	125.9600	0.000	1	125.9600	0.000	1	125.9600	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5a]-3:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|V<6>,2|H<1>}	120.8030	0.669	2	120.8030	0.447	2	120.8030	0.447	2	120.8030	0.447	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	2:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(CCHH){4|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](N[6]C[5,6])(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	123.4393	0.323	6	123.4393	0.105	6	123.4393	0.105	6	123.4393	0.105	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	121.2110	0.482	4	121.2110	0.232	4	122.1297	1.049	9	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(CC[6a]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	122.8646	0.636	5	122.8646	0.405	5	122.1297	1.049	9	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP)	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<8>,1|C<3>,1|H<1>,1|N<3>}	121.0970	0.000	1	120.9020	0.076	2	120.9020	0.076	2	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP)	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(PC[6a]2Zr)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	120.7070	0.000	1	120.9020	0.076	2	120.9020	0.076	2	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCHH){6|C<3>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	118.6170	0.000	1	118.6170	0.000	1	119.6002	1.218	6	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|S<4>,2|C<4>,2|H<1>}	118.3800	0.000	1	118.3800	0.000	1	119.6002	1.218	6	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC[6a]CO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CC[6a]CO)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	119.7050	0.128	3	119.7050	0.016	3	119.6002	1.218	6	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)2(H){1|C<4>,1|N<4>,2|H<1>}	121.4890	0.000	1	121.4890	0.000	1	119.6002	1.218	6	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCCN)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	C(C[6]C[6]2)(CCCN)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	120.0460	0.000	1	120.0460	0.000	1	120.2575	0.089	2	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	120.4690	0.000	1	120.4690	0.000	1	120.2575	0.089	2	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|Li<3>,1|Li<4>,2|C<3>}	117.9650	0.643	2	117.9650	0.414	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]AgH)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]AgH)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NAgCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	120.8940	0.000	1	120.8940	0.000	1	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	121.9360	0.000	1	120.9820	1.820	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<2>}	120.0280	0.000	1	120.9820	1.820	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NZnCC)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(NZnCC)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	121.4495	0.973	6	121.4495	0.947	6	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]EuO)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]EuO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)2(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	122.2380	0.980	2	122.2380	0.960	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NMnCC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(NMnCC)(H)2	C[6](C[6]C[6]C)2(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	120.7810	0.834	2	120.7810	0.696	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	118.1865	0.677	2	118.1865	0.458	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C(C[6]C[6]2)(NLiCC)(H)2	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	118.5205	0.261	2	118.5205	0.068	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NNdCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NNdCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|N<4>}	119.4093	0.338	3	119.4093	0.114	3	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,2|H<1>}	124.0250	0.311	2	124.0250	0.097	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	120.0550	0.000	1	120.5517	0.185	3	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C(C[6]C[6]2)(NCCH)(H)2	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	120.8000	0.018	2	120.5517	0.185	3	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	124.0250	0.000	1	123.0505	1.899	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN)	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(NNiCC)(H)2	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<4>,1|H<1>,1|O<3>}	122.0760	0.000	1	123.0505	1.899	2	120.7231	3.406	29	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	C(C[6]C[6]2)(PHfCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(PHfCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<11>,1|C<3>,1|H<1>,1|N<3>}	119.1763	0.490	3	119.1763	0.241	3	118.7351	1.579	8	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Ir2)(C[6]C[6]H)(CHHP)	C(C[6]C[6]2)(PIrCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Ir2)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(PIrCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Ir<6>,1|C<3>,1|H<1>}	116.8515	0.340	2	116.8515	0.116	2	118.7351	1.579	8	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	C(C[6]C[6]2)(PZrCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(PZrCC)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	119.5497	0.628	3	119.5497	0.394	3	118.7351	1.579	8	120.6021	3.413	57	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6]C[6])(CC[6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	120.7237	0.728	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:2:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH)	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH){1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	121.1880	0.403	2	121.1880	0.162	2	121.1880	0.162	2	120.7237	0.728	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(CCCH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6])(CCCH)(H)2	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.8030	2.371	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(CC[5]HH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	119.8555	0.194	2	119.8555	0.038	2	120.4267	2.309	4	120.8030	2.371	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6])(CHHO)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	119.3270	0.000	1	119.3270	0.000	1	120.4267	2.309	4	120.8030	2.371	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(CH3)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	122.6690	0.000	1	122.6690	0.000	1	120.4267	2.309	4	120.8030	2.371	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	122.8260	0.000	1	122.8260	0.000	1	122.8260	0.000	1	120.8030	2.371	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	121.3680	0.000	1	121.3680	0.000	1	122.4443	0.900	3	122.4443	0.900	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>}	122.9825	0.248	2	122.9825	0.062	2	122.4443	0.900	3	122.4443	0.900	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(CC[3x6]HH)(H)2	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	3:4:4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(CCHH)(H)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	120.7990	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6])(CC[6a]CH)(H)2	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	120.1855	0.644	2	120.1855	0.415	2	120.1855	0.415	2	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.4570	0.000	1	121.4570	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	121.0290	0.000	1	121.0290	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CCHH){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	117.4400	0.000	1	117.4400	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.9740	0.877	2	121.9740	0.769	2	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	123.8490	0.000	1	123.8490	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	119.8870	0.000	1	119.8870	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCCO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCCO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	119.8950	0.000	1	119.8950	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	119.0020	0.000	1	121.0487	3.171	3	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	122.0720	0.240	2	121.0487	3.171	3	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	123.9280	0.315	2	123.9280	0.099	2	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCl3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCl3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	121.2150	0.000	1	121.2150	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.0810	0.972	6	122.0810	0.945	6	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C(C[6]C[6]2)(CHHO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	120.8840	0.000	1	120.8840	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CN[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	C(C[6]C[6]2)(CN[5]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	121.5290	0.000	1	121.5290	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	121.7660	0.000	1	121.7660	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.3310	0.000	1	120.3310	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(CCHH){1|Si<4>,1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)2	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.4100	0.635	4	120.4100	0.403	4	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCHH){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	125.0645	2.336	2	125.0645	5.455	2	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH)	C(C[6]C[6]2)(CCHO)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CCHO)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|H<1>}	123.2050	0.000	1	123.2050	0.000	1	121.6675	3.166	31	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP)	C(C[6]C[6]2)(PC[6a]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHP){1|C<4>,4|H<1>}	C(C[6]C[6]2)(PC[6a]2O)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:Si-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH)	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CSiHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(SiC3)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	121.1190	0.000	1	121.1190	0.000	1	121.1190	0.000	1	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	N[6]-4:C[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]RuB)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]RuB)(C[6]C[6]H)(CHHP){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|Ru<7>,1|B<5>,1|C<3>,1|H<1>}	123.5970	0.000	1	123.5970	0.000	1	123.5970	0.000	1	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:1:	P[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH)	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH){2|C<4>,4|C<3>}	C(C[6]C[6]P[6])(CCHH)(H)2	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H){1|O<1>,3|C<3>}	122.4210	0.000	1	122.4210	0.000	1	122.4210	0.000	1	121.6243	2.914	37	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	118.8360	0.000	1	118.8360	0.000	1	118.8360	0.000	1	121.2625	11.776	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	123.6890	0.000	1	123.6890	0.000	1	123.6890	0.000	1	121.2625	11.776	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CC3)(H)2	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	120.7740	0.245	2	120.7740	0.060	2	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]CH){2|H<1>,3|C<4>}	121.0100	0.000	1	121.0100	0.000	1	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.7430	0.000	1	121.7430	0.000	1	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	120.1112	0.196	4	120.1112	0.038	4	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	121.3050	0.000	1	121.3050	0.000	1	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|N<3>,4|H<1>}	C(C[6]C[6]2)(CCHH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CCHH){1|H<1>,1|S<4>,2|C<4>}	123.9720	0.000	1	123.9720	0.000	1	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	123.6935	0.586	2	124.1437	0.416	4	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|H<1>,1|N<4>,3|C<4>}	124.3780	0.000	1	124.1437	0.416	4	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CCHH){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CH3)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|N<4>,2|C<4>,2|H<1>}	124.8100	0.000	1	124.1437	0.416	4	121.8999	3.258	14	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	Ge[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	Ge[6]-4:C[6]-3:C-4:	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH)	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH)	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	C(C[6]Ge[5,6]C[6])(CH3)(H)2	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH){1|C<4>,1|O<2>,4|C<3>}	124.0025	0.036	2	124.0025	0.001	2	124.0025	0.001	2	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	Ge[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	Ge[5,6]-4:C[6]-3:C-4:	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH)	C(C[6]Ge[6]C[6])(CH3)(H)2	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH)	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH){1|C<4>,1|O<2>,4|C<3>}	C(C[6]Ge[6]C[6])(CH3)(H)2	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	122.2040	0.423	2	122.2040	0.179	2	122.2040	0.179	2	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	118.3810	0.000	1	118.3810	0.000	1	120.9347	1.593	6	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Ge2)(C[6]Si[6]C)(CCHH){2|Ge<4>,1|C<3>,1|C<4>}	121.6235	0.052	2	121.6235	0.003	2	120.9347	1.593	6	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]Si2)(C[6]Si[6]C)(CCHH){2|Si<4>,1|C<3>,1|C<4>}	121.3295	0.175	2	121.3295	0.031	2	120.9347	1.593	6	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:1:1:	4:3:4:	Si[6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	Si[6]-4:C[6]-3:C-4:	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH)	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH)	C[6](Si[6]C[6]SiH)(C[6]Si[6]C)(CCHH){2|H<1>,3|C<4>}	C(C[6]Si[6]C[6])(CH3)(H)2	C[6](Si[6]C[6]CC)(C[6]Si[6]C)(CCHH){1|Si<4>,1|H<1>,3|C<4>}	121.3210	0.000	1	121.3210	0.000	1	120.9347	1.593	6	121.8591	2.830	24	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO)	C(C[6]C[6]2)(CCHO)(OC)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]O[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCHO)(OC)(H)	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	117.3010	0.000	1	117.3010	0.000	1	117.3010	0.000	1	117.3010	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	119.9380	0.000	1	119.9380	0.000	1	120.1980	4.781	3	120.1980	4.781	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	118.1530	0.000	1	118.1530	0.000	1	120.1980	4.781	3	120.1980	4.781	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	122.5030	0.000	1	122.5030	0.000	1	120.1980	4.781	3	120.1980	4.781	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	120.6160	0.000	1	120.4370	0.064	2	120.4370	0.064	2	120.4370	0.064	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO)	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHO){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]CH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	120.2580	0.000	1	120.4370	0.064	2	120.4370	0.064	2	120.4370	0.064	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){2|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6]HH)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	120.5840	0.000	1	120.5840	0.000	1	119.8093	0.993	4	119.8093	0.993	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	118.3790	0.000	1	119.5510	1.090	3	119.8093	0.993	4	119.8093	0.993	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:2:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]HO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	120.1370	0.345	2	119.5510	1.090	3	119.8093	0.993	4	119.8093	0.993	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCHH)(CNO)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CCHH)(CNO)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	121.0260	0.000	1	121.0260	0.000	1	120.4215	0.731	2	120.4215	0.731	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)(CHH)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<15>,1|C<3>,1|H<1>,1|N<3>}	119.8170	0.000	1	119.8170	0.000	1	120.4215	0.731	2	120.4215	0.731	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	122.7935	0.381	2	122.7935	0.145	2	122.7935	0.145	2	121.1018	3.879	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(CH3)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(NHS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	121.1018	3.879	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN)	C(C[6]C[6]2)(NH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHN){1|C<3>,3|H<1>}	C(C[6]C[6]2)(NH3)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,3|H<1>}	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	121.1018	3.879	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:3:3:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CC[6a]HH)(COO)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(COO)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	122.7785	0.402	2	122.7785	0.162	2	122.7785	0.162	2	122.7785	0.162	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	123.5027	0.261	3	123.5027	0.068	3	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Fe<9>,1|C<4>,2|C<3>}	121.7740	0.000	1	121.7740	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	120.2330	0.000	1	120.2330	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>,1|N<3>}	119.8057	0.543	4	119.9828	0.766	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>,1|N<3>}	120.3370	1.604	2	119.9828	0.766	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Co<5>,1|C<4>,1|H<1>,1|N<3>}	121.5410	0.000	1	121.5410	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>,1|N<3>}	120.5842	0.959	4	119.9562	1.511	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>}	118.5210	0.000	1	119.9562	1.511	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>,1|N<4>}	118.8790	0.000	1	119.9562	1.511	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<15>,1|C<3>,1|H<1>,1|N<3>}	118.0477	0.780	4	118.0477	0.608	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCHO)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHO)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	123.1650	0.000	1	123.1650	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	120.4140	0.000	1	120.4140	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	124.9720	0.000	1	124.9720	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<8>,1|C<3>,1|H<1>,1|N<3>}	120.0220	0.239	2	118.8165	2.964	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	117.6110	1.738	2	118.8165	2.964	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<16>,1|C<3>,1|H<1>,1|N<3>}	119.4655	0.794	2	119.4655	0.631	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<4>}	119.2905	0.572	2	119.2905	0.327	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|U<8>}	119.8965	0.443	2	119.6493	1.678	18	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<13>,1|C<3>,1|H<1>,1|N<2>}	119.8557	0.978	10	119.6493	1.678	18	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|H<1>,1|N<3>}	119.8060	2.100	4	119.6493	1.678	18	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<15>,1|C<3>,1|H<1>,1|N<2>}	118.0565	0.876	2	119.6493	1.678	18	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<6>,1|C<4>,1|H<1>,1|N<3>}	117.3850	0.000	1	117.3850	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<6>,1|C<4>,1|H<1>,1|N<3>}	121.2550	0.000	1	121.2550	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<15>,1|C<3>,1|H<1>,1|N<3>}	120.1430	1.318	3	120.1430	1.736	3	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<2>}	120.4870	0.518	2	120.1923	0.541	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<3>}	120.0450	0.852	4	120.1923	0.541	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>}	119.6980	0.651	2	119.6980	0.423	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<10>,1|C<3>,1|H<1>,1|N<3>}	119.5645	0.571	2	119.9635	0.594	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>,1|N<3>}	120.3625	0.906	2	119.9635	0.594	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>,1|N<3>}	118.8114	0.667	8	118.8114	0.445	8	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<17>,1|C<3>,1|H<1>,1|N<3>}	119.4163	0.714	4	119.4163	0.509	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH){3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Yb<13>,1|C<3>,1|C<4>,1|H<1>}	121.2080	0.000	1	121.2080	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,1|N<3>}	119.4365	0.633	4	119.4365	0.400	4	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	119.5935	1.497	6	119.5935	2.242	6	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|H<1>,2|C<3>}	120.2680	0.368	2	120.2680	0.135	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Cr<4>,1|H<1>,2|C<3>}	120.0710	0.017	2	120.0710	0.000	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	120.7075	0.045	2	120.7075	0.002	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	121.6900	0.000	1	121.6900	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Pd<4>,1|H<1>,2|C<3>}	118.5729	0.449	22	118.5829	0.185	24	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Pd<4>,3|C<3>}	118.6320	0.000	1	118.5829	0.185	24	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	118.7530	0.000	1	118.5829	0.185	24	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	119.7460	1.148	2	119.7460	1.319	2	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(H){1|Yb<13>,1|C<3>,1|C<4>,1|H<1>}	118.6680	0.000	1	118.6680	0.000	1	119.6238	1.988	125	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	119.6435	2.021	126	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[5,6]C[6])(CCHO)(CH3)(H)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|C<3>,1|H<1>,3|C<4>}	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	121.5195	2.471	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	120.4080	0.000	1	120.4080	0.000	1	120.4080	0.000	1	121.5195	2.471	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NNiC)	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]C)2(NNiC){1|Ni<4>,1|C<4>,2|H<1>}	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.7220	0.136	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH){2|C<4>,5|C<3>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Pd<4>,3|H<1>,4|C<3>}	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	122.7220	0.136	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH)	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(CCCH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(CCCH)(CCHH)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(H){1|O<2>,2|C<4>,2|H<1>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCCH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	120.5190	0.000	1	120.5190	0.000	1	121.5432	1.296	6	121.5432	1.296	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.0770	0.000	1	121.0770	0.000	1	121.5432	1.296	6	121.5432	1.296	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CCCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.4460	0.007	2	122.4460	0.000	2	121.5432	1.296	6	121.5432	1.296	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	122.7150	0.000	1	122.7150	0.000	1	121.5432	1.296	6	121.5432	1.296	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<3>,4|C<4>}	C(C[6]C[6]2)(CH3)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	120.0560	0.000	1	120.0560	0.000	1	121.5432	1.296	6	121.5432	1.296	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:2:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a]CH)(CF3)(OH)	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	118.8250	0.000	1	118.8250	0.000	1	118.8330	0.000	3	118.8330	0.000	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:2:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO)	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(CCCO){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(CF3)(OH)	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	118.8370	0.000	2	118.8370	0.000	2	118.8330	0.000	3	118.8330	0.000	3	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:3:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)2(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|W<14>,1|C<4>,2|O<2>}	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:2:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CC3){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	113.2390	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]H)(CC3){3|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	122.6800	0.000	1	122.6800	0.000	1	122.6800	0.000	1	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]NdO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]NdO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|Nd<21>,1|C<4>,2|O<2>}	122.6433	0.727	6	122.6433	0.529	6	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|W<14>,1|C<4>,2|O<2>}	123.4353	0.370	3	123.4353	0.137	3	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<7>,1|C<3>,1|H<1>,1|O<3>}	119.4230	0.000	1	119.4230	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ce<16>,1|C<3>,1|H<1>,1|O<2>}	121.8568	0.216	8	121.8805	0.177	13	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|P<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	121.8390	0.932	3	121.8805	0.177	13	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ce<14>,1|C<3>,1|H<1>,1|O<2>}	122.0380	0.064	2	121.8805	0.177	13	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	117.8135	1.739	2	117.8135	3.023	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ho<14>,1|C<4>,1|H<1>,1|N<3>}	119.8160	0.000	1	119.9255	0.024	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ho<15>,1|C<4>,1|H<1>,1|N<3>}	120.0350	0.000	1	119.9255	0.024	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LaH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LaH)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<13>,1|C<3>,1|C<4>,1|H<1>}	120.4170	0.000	1	120.4170	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LuN)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LuN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Lu<14>,1|C<4>,1|H<1>,1|N<3>}	119.8510	0.000	1	119.8510	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Lu<12>,1|C<3>,1|H<1>,1|O<2>}	120.6100	0.000	1	120.6100	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<3>,1|H<1>,1|N<2>}	117.3080	0.000	1	117.3080	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	117.5305	2.780	2	117.5305	7.726	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Y<14>,1|C<4>,1|H<1>,1|N<3>}	119.8730	0.000	1	119.8730	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|C<4>,2|H<1>}	122.8000	0.000	1	122.8000	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<2>,1|U<9>}	121.6950	0.000	1	121.6767	0.855	3	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<4>,1|H<1>,1|O<2>}	122.5920	0.000	1	121.6767	0.855	3	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|P<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	120.7430	0.000	1	121.6767	0.855	3	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	120.5430	0.875	2	121.3117	0.635	6	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	122.0255	0.139	2	121.3117	0.635	6	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	121.3665	0.428	2	121.3117	0.635	6	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|W<14>,1|C<4>,1|H<1>,1|O<2>}	123.4150	0.275	3	122.8158	1.487	4	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|O<2>,1|W<8>}	121.0180	0.000	1	122.8158	1.487	4	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CHHW)(CH3)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CHHW)(CH3)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|O<2>,1|W<8>}	125.3160	0.000	1	125.3160	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Y<12>,1|C<3>,1|H<1>,1|O<2>}	121.5720	0.000	1	121.5720	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]RuO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]RuO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ru<10>,1|C<4>,1|H<1>,1|O<2>}	122.8310	0.479	2	122.8310	0.230	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	120.3230	0.000	1	120.3230	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ta<13>,1|C<4>,1|H<1>,1|O<2>}	123.4100	0.000	1	121.7027	0.817	7	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ta<8>,1|C<3>,1|H<1>,1|O<2>}	121.4182	0.548	6	121.7027	0.817	7	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>}	122.1330	0.000	1	122.1330	0.000	1	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>}	121.3060	0.342	2	121.6816	0.260	14	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<13>,1|C<4>,1|H<1>,1|O<2>}	121.9320	0.114	3	121.6816	0.260	14	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<9>,1|C<4>,1|H<1>,1|O<2>}	122.2680	0.000	1	121.6816	0.260	14	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>}	121.6335	0.311	4	121.6816	0.260	14	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	121.5830	0.834	4	121.6816	0.260	14	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|O<3>}	120.9465	0.146	2	120.9465	0.021	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CYbHH)(CH3)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CYbHH)(CH3)2	C[6](C[6]C[6]C)2(H){1|Yb<10>,1|C<3>,1|H<1>,1|O<3>}	119.5865	0.339	2	119.5865	0.115	2	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<16>,1|C<3>,1|C<4>,1|O<2>}	121.1430	0.397	2	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|S<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	121.6525	0.080	2	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	120.7020	0.000	2	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<3>,1|H<1>,1|O<2>}	122.5720	0.000	1	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	120.0455	1.040	2	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	122.8040	0.000	1	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)2(H){1|Zr<8>,1|C<3>,1|H<1>,1|O<2>}	120.2340	0.349	2	121.0775	1.008	12	121.4292	2.199	91	121.4428	2.192	92	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	128.8490	0.000	1	128.8490	0.000	1	127.5790	3.226	2	127.5790	3.226	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	3:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3){1|C<4>,1|O<1>,1|S<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	126.3090	0.000	1	126.3090	0.000	1	127.5790	3.226	2	127.5790	3.226	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	123.5570	0.000	1	123.5570	0.000	1	123.6498	0.448	5	123.6498	0.448	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:4:4:4:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]MoP)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]MoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]MoP)(C[6]C[6]H)(CC3){3|C<4>}	C(C[6]C[6]2)(CH3)3	C[6](C[6]C[6]MoC)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|P<4>}	123.6730	0.771	4	123.6730	0.594	4	123.6498	0.448	5	123.6498	0.448	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:1:1:	3:3:1:	N[6]-4:C[6]-3:C-4:	C[6]-3:P-5:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]NdO)(C[6]C[6]H)(CHHP)	C(C[6]C[6]N[6])(PC[6a]NdCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]NdO)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]NdCO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<15>,1|C<3>,1|H<1>,1|O<2>}	123.6405	0.805	2	123.6405	0.649	2	123.6405	0.649	2	123.6405	0.649	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:3:1:	3:3:1:	N[6]-4:C[6]-3:C-4:	C[6]-3:P-5:C-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP)	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	123.1980	0.327	2	123.1980	0.107	2	123.1980	0.107	2	123.1980	0.107	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-5:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C(C[6]C[6]2)(CCrH3)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCrH3)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>,1|N<4>}	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-5:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CCaH3)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCaH3)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<7>,1|C<3>,1|H<1>,1|O<3>}	119.2190	0.000	1	119.2190	0.000	1	118.5703	6.887	4	118.5703	6.887	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-5:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CLuH3)(CH3)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CLuH3)(CH3)2	C[6](C[6]C[6]C)2(H){1|Lu<12>,1|C<3>,1|H<1>,1|O<2>}	119.7260	0.000	1	119.7260	0.000	1	118.5703	6.887	4	118.5703	6.887	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-5:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3U)(CH3)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3U)(CH3)2	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<3>,1|H<1>,1|N<2>}	114.7290	0.000	1	114.7290	0.000	1	118.5703	6.887	4	118.5703	6.887	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	3:5:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-5:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(CH3Y)(CH3)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3Y)(CH3)2	C[6](C[6]C[6]C)2(H){1|Y<12>,1|C<3>,1|H<1>,1|O<2>}	120.6070	0.000	1	120.6070	0.000	1	118.5703	6.887	4	118.5703	6.887	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2Dy)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2Dy)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>}	118.3817	0.638	3	118.3817	0.407	3	118.2680	0.319	9	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2Er)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2Er)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>}	117.9997	0.583	3	117.9997	0.339	3	118.2680	0.319	9	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2Gd)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2Gd)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>}	118.4227	0.605	3	118.4227	0.366	3	118.2680	0.319	9	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	C(PC[6a]HfC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(PC[6a]HfC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<10>,1|C<3>,1|H<1>,1|N<3>}	119.6877	0.628	4	119.8235	0.771	8	120.0564	1.135	11	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	C(PC[6a]HfC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(PC[6a]HfC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	119.9592	1.164	4	119.8235	0.771	8	120.0564	1.135	11	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	C(PC[6a]2Zr)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(PC[6a]2Zr)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	121.5810	0.000	1	121.5810	0.000	1	120.0564	1.135	11	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	P-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	C(PC[6a]ZrC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C(PC[6a]ZrC)(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	120.2255	1.771	2	120.2255	3.138	2	120.0564	1.135	11	119.2516	1.565	20	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	3:4:1:	C[3,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[5,6]C[6])(H)2	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	124.5220	0.000	1	124.5220	0.000	1	124.5220	0.000	1	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	B-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	121.8070	0.000	1	122.0985	0.170	2	122.0985	0.170	2	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	B-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH)	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CBHH){1|C<4>,4|H<1>}	C(BC[6a]2N[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	122.3900	0.000	1	122.0985	0.170	2	122.0985	0.170	2	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH)	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]HH){1|N<3>,4|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|H<1>}	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CC[6]HH){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>}	120.0570	0.000	1	120.0570	0.000	1	120.7425	0.554	4	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	120.1430	0.000	1	120.1430	0.000	1	120.7425	0.554	4	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.3200	0.000	1	121.3850	0.008	2	120.7425	0.554	4	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HH){2|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.4500	0.000	1	121.3850	0.008	2	120.7425	0.554	4	121.7147	1.984	8	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]N[6]H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|H<1>,3|C<4>}	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH)	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]HH){1|C<4>,2|C<2>,2|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|H<1>,2|C<2>,2|C<4>}	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	121.8665	0.349	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6,6a]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	121.3920	0.000	1	121.3920	0.000	1	122.0242	0.250	5	121.8665	0.349	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:1:1:	4:3:4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]HH){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(C[6]C[6]2)(H)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|O<2>,3|H<1>}	122.1822	0.408	4	122.1822	0.166	4	122.0242	0.250	5	121.8665	0.349	6	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:2:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HO){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	119.7055	0.135	2	119.7055	0.018	2	119.7055	0.018	2	119.7055	0.018	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[3]-4:C[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH)	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(CC[3]CH){1|C<3>,1|H<1>,1|O<2>}	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	120.4790	12.832	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6]HN){1|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(NOO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	120.4790	12.832	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:4:1:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH){1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	122.3420	0.419	2	122.3420	0.175	2	122.3420	0.175	2	122.3420	0.175	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC)	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC){1|C<3>,2|H<1>}	C(C[5]C[5]2U)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,2|H<1>}	125.6300	0.000	1	125.6300	0.000	1	125.1448	0.088	5	125.1448	0.088	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:3:4:	4:3:4:4:	3:3:1:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC)	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]U)(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,1|H<1>,1|H<2>}	125.0235	0.141	4	125.0235	0.020	4	125.1448	0.088	5	125.1448	0.088	5	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:4:3:	3:3:3:1:	3:3:1:	C-4:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](C[6]C[6]C)2(H)	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)2(H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	119.9295	0.320	2	119.9295	0.103	2	119.9295	0.103	2	119.9295	0.103	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:4:3:	4:3:1:1:	3:3:1:	C[3,6]-4:C-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	4:4:3:	4:3:1:1:	4:3:1:	C[6]-4:C-4:C[6]-3:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(CC[5,6]HH)(C[6]C[6]H){1|C<4>,1|S<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	5:3:4:	3:4:1:1:	3:3:3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH){1|C<5>,3|H<1>,4|C<3>,5|B<6>}	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|B<6>,4|C<3>}	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	5:3:4:	3:4:1:1:	3:3:4:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH)	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,1|C<5>,3|H<1>,5|B<6>}	C(C[6]C[3x3,4,3x5,15x6]C[6])(CH3)(H)2	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	122.9840	0.221	2	122.9840	0.049	2	122.9840	0.049	2	122.9840	0.049	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:1:1:1:	3:3:3:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3)	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(H)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:1:1:1:	3:4:4:	Nb[4x6]-6:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3)	C(C[6]Nb[4x6]C[6])(H)3	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3)	C[6](Nb[4x6]N[5,6,6]3O[6]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<4>,3|C<3>,3|N<3>}	C(C[6]Nb[4x6]C[6])(H)3	C[6](C[6]Nb[4x6]C)(C[6]C[6]CH)(CH3){1|O<1>,1|O<2>,2|C<4>,3|N<3>}	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:2:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]O[6])(CCHH){1|C<6>,3|C<3>,4|B<6>,4|H<1>}	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<6>,1|O<1>,2|C<3>,2|H<1>,4|B<6>}	121.6670	0.000	1	121.6670	0.000	1	121.6670	0.000	1	121.6670	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:3:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|H<1>,4|C<3>,5|B<6>}	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|C<5>,2|H<1>,3|B<6>,4|C<3>}	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	122.5487	0.071	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:3:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){2|C<4>,3|C<3>,3|H<1>,5|B<6>}	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){2|C<6>,2|H<1>,3|B<6>,3|C<3>}	122.3865	0.176	2	122.3865	0.031	2	122.3865	0.031	2	122.5487	0.071	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:3:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CCHH)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	122.5487	0.071	4	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	123.1400	0.000	1	123.0445	0.018	2	123.0445	0.018	2	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	C(C[6]B[4x3,4,5x5,22x6]C[6])(CH3)(H)2	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	122.9490	0.000	1	123.0445	0.018	2	123.0445	0.018	2	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]B[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	123.0530	0.000	1	123.0530	0.000	1	123.0530	0.000	1	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6,6a]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	122.9420	0.000	1	122.9420	0.000	1	123.4837	0.229	9	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	123.2910	0.000	1	123.5807	0.243	7	123.4837	0.229	9	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	123.6936	0.555	5	123.5807	0.243	7	123.4837	0.229	9	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	123.3060	0.000	1	123.5807	0.243	7	123.4837	0.229	9	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	123.3460	0.000	1	123.3460	0.000	1	123.4837	0.229	9	123.3919	0.194	13	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:1:1:	3:4:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)(H)2	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]CH)(CCHH){1|C<6>,2|H<1>,4|B<6>}	123.9090	0.195	2	123.9090	0.038	2	123.9090	0.038	2	123.9090	0.038	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:4:4:	3:3:1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H){1|C<6>,1|H<1>,4|B<6>}	119.7765	0.101	2	119.7765	0.010	2	119.7765	0.010	2	119.7765	0.010	2	121.5724	5.716	21868	121.6032	5.825	22111
762	490	762	0:SP2_SP2_SP3	C[6]	C	C[6]	6:3:4:	3:4:4:4:	3:3:4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3)	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C(C[6]C[5x3,5x5,21x6]C[6])(CH3)3	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	121.5724	5.716	21868	121.6032	5.825	22111