762	622	892	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:4:	3:3:	3:1:1:1:	O[6]-2:C[6]-3:N-4:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(NH3){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)3	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	113.5480	32.724	2	113.5480	32.724	2
762	622	892	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:4:	3:4:	3:1:1:1:	C[6,6a]-3:O[6]-2:N-4:	C[6]-3:B[6]-4:	C[6]-3:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3)	O[6](C[6]C[6,6a]N)(B[6]O[6]FF)	N(C[6]C[6,6a]O[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	O[6](C[6]C[6,6a]N)(B[6]O[6]FF){2|C<3>}	N(C[6]C[6,6a]O[6])(H)3	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	113.5480	32.724	2	113.5480	32.724	2
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	2:2:2:	3:3:	3:4:	O[6]-2:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](O[6]B[6])(O[6]C[6])(OC)	O[6](C[6]C[6]C)(C[6]O[6]O)	O(C[6]O[6]2)(CCHH)	C[6](O[6]B[6])(O[6]C[6])(OC){1|C<4>,3|C<3>}	O[6](C[6]C[6]C)(C[6]O[6]O){1|B<4>,1|C<3>,1|H<1>}	O(C[6]O[6]2)(CCHH)	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	2:2:2:	4:3:	3:4:	N[6]-2:O[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6])(O[6]C[6])(OC)	O[6](C[6]C[6]CH)(C[6]N[6]O)	O(C[6]N[6]O[6])(CC3)	C[6](N[6]C[6])(O[6]C[6])(OC){2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])(CC3)	105.1420	0.000	1	105.1420	0.000	1	105.1420	0.000	1	113.1255	127.473	2	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	2:2:2:	4:3:	3:4:	O[6]-2:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](O[6]B[6])(O[6]C[6])(OC)	O[6](B[6]C[6a]2C[6])(C[6]O[6]O)	O(C[6]O[6]2)(CCHH)	C[6](O[6]B[6])(O[6]C[6])(OC){1|C<4>,3|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]O[6]O){1|H<1>,6|C<3>}	O(C[6]O[6]2)(CCHH)	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	113.1255	127.473	2	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	2:3:2:	3:3:	3:4:	O[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(OC)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](O[6]C[6,6])(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<3>,4|C<4>}	O(C[6]C[6]O[6])(CH3)	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	113.2770	0.000	1	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	2:3:2:	4:3:	3:4:	O[6]-2:C[6]-3:O-2:	B[5,6]-4:C[6]-3:	C[6]-3:C-4:	C[6](O[6]B[5,6])(C[6]N[6]H)(OC)	O[6](B[5,6]N[6]O[5]2)(C[6]C[6]O)	O(C[6]C[6]O[6])(CCHH)	C[6](O[6]B[5,6])(C[6]N[6]H)(OC){1|N<3>,2|O<2>}	O[6](B[5,6]N[6]O[5]2)(C[6]C[6]O){1|H<1>,1|N<2>,1|P<3>,2|C<4>}	O(C[6]C[6]O[6])(CCHH)	120.5145	0.200	2	120.5145	0.040	2	120.5145	0.040	2	120.5145	0.040	2	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:3:	3:4:	C[6,6a]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	O[6](C[6]C[6,6a]O)(C[6]C[6]H)	O(C[6]C[6,6a]O[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]H){1|In<4>,2|C<3>}	O(C[6]C[6,6a]O[6])(CH3)	118.2410	0.000	1	118.2410	0.000	1	113.9225	37.299	2	114.3539	14.830	7	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:3:	3:4:	C[6,6a]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]O[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]O){1|I<1>,4|C<3>}	O(C[6]C[6,6a]O[6])(CH3)	109.6040	0.000	1	109.6040	0.000	1	113.9225	37.299	2	114.3539	14.830	7	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]C)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	O(C[6]C[6]O[6])(CH3)	109.9610	0.000	1	109.9610	0.000	1	114.5264	12.790	5	114.3539	14.830	7	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6]Cr)(C[6]C[6]O)	O(C[6]C[6]O[6])(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|Cr<6>,1|C<3>,1|H<1>}	O[6](C[6]C[6]Cr)(C[6]C[6]O){1|H<1>,2|C<3>}	O(C[6]C[6]O[6])(CCHH)	117.5600	0.000	1	117.5600	0.000	1	114.5264	12.790	5	114.3539	14.830	7	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|H<1>,2|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|B<4>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6])(CH3)	116.8510	0.768	2	115.0370	10.167	3	114.5264	12.790	5	114.3539	14.830	7	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O[6](C[6]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(OC){3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]O){1|In<4>,1|H<1>,3|C<3>}	O(C[6]C[6]O[6])(CH3)	111.4090	0.000	1	115.0370	10.167	3	114.5264	12.790	5	114.3539	14.830	7	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:4:	3:4:	C[5,6,6]-3:O[6]-2:O-2:	C[6]-3:P[6]-4:	C[6]-3:C-4:	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC)	O[6](C[6]C[5,6,6]O)(P[6]C[6,6]CW)	O(C[6]C[5,6,6]O[6])(CH3)	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC){1|H<1>,1|P<4>,1|W<6>,2|C<3>,3|C<4>}	O[6](C[6]C[5,6,6]O)(P[6]C[6,6]CW){1|H<1>,3|C<4>}	O(C[6]C[5,6,6]O[6])(CH3)	114.8240	0.000	1	114.8240	0.000	1	114.8240	0.000	1	117.4180	13.458	2	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	3:4:	3:4:	C[6,6]-3:O[6]-2:O-2:	C[6]-3:B[6]-4:	C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)	O[6](C[6]C[6,6]O)(B[6]O[6]FF)	O(C[6]C[6,6]O[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	O[6](C[6]C[6,6]O)(B[6]O[6]FF){1|C<3>,1|C<4>}	O(C[6]C[6,6]O[6])(CH3)	120.0120	0.000	1	120.0120	0.000	1	120.0120	0.000	1	117.4180	13.458	2	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[5,6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC)	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O)	O(C[6]C[5,6]O[6])(CH3)	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5,6]O[6])(CH3)	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]2)(O[6]B[6])(OC)	O[6](B[6]O[6]FF)(C[6]C[6]O)	O(C[6]C[6]O[6])(CCHH)	C[6](C[6]C[6]2)(O[6]B[6])(OC){1|H<1>,1|O<2>,2|F<1>,3|C<4>}	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|C<4>}	O(C[6]C[6]O[6])(CCHH)	117.8840	0.000	1	117.8840	0.000	1	118.0503	0.268	8	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]B[6])(OC)	O[6](B[6]C[6a]2C[6])(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]C)(O[6]B[6])(OC){1|C<4>,1|H<1>,3|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6]O[6])(CH3)	117.6720	0.000	1	117.6720	0.000	1	118.0503	0.268	8	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]B[6])(OC)	O[6](B[6]O[6]FF)(C[6]C[6]O)	O(C[6]C[6]O[6])(CCHH)	C[6](C[6]C[6]H)(O[6]B[6])(OC){1|C<3>,1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(C[6]C[6]O){1|C<3>,1|H<1>}	O(C[6]C[6]O[6])(CCHH)	118.1050	0.000	1	118.1050	0.000	1	118.0503	0.268	8	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	O(C[6]C[6]O[6])(CCHH)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){1|C<4>,1|O<2>,4|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	O(C[6]C[6]O[6])(CCHH)	119.0910	0.000	1	119.0910	0.000	1	118.0503	0.268	8	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	O[6](B[6]C[6a]2O[6])(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	O[6](B[6]C[6a]2O[6])(C[6]C[6]O){6|C<3>}	O(C[6]C[6]O[6])(CH3)	117.9125	0.424	4	117.9125	0.180	4	118.0503	0.268	8	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]C)(O[6]C[6])(OC)	O[6](C[6]O[6]CC)(C[6]C[6]O)	O(C[6]C[6]O[6])(CC[5a]HH)	C[6](C[6]C[6]C)(O[6]C[6])(OC){1|O<1>,1|O<2>,2|C<4>}	O[6](C[6]O[6]CC)(C[6]C[6]O){1|C<3>,1|C<4>}	O(C[6]C[6]O[6])(CC[5a]HH)	106.1470	0.000	1	106.1470	0.000	1	106.1470	0.000	1	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:O-2:	Ge[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]Ge[6])(OC)	O[6](Ge[6]C[5,6]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]H)(O[6]Ge[6])(OC){1|C<4>,1|H<1>,3|C<3>}	O[6](Ge[6]C[5,6]C[6a]2)(C[6]C[6]O){1|C<4>,1|H<1>,6|C<3>}	O(C[6]C[6]O[6])(CH3)	113.6530	0.000	1	113.6530	0.000	1	113.6530	0.000	1	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	3:2:2:	4:3:	3:4:	P[6]-3:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:B-4:	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB)	O[6](B[6]C[6a]2C[6])(C[6]P[6]O)	O(C[6]O[6]P[6])(BC[6a]2C)	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB){1|C<4>,2|H<1>,4|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]P[6]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6]O[6]P[6])(BC[6a]2C)	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	116.6193	13.877	12	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	4:2:2:	4:3:	3:4:	C[3,5,6]-4:O[6]-2:O-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O)	O(C[6]C[3,5,6]O[6])(CH3)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O){2|C<4>,2|H<1>,5|C<3>}	O(C[6]C[3,5,6]O[6])(CH3)	119.1930	0.000	1	119.1930	0.000	1	119.1930	0.000	1	120.3062	1.220	6	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	4:2:2:	4:3:	3:4:	C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:B-4:	C[6](C[6]C[6]HH)(O[6]C[6])(OB)	O[6](C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]O[6])(BC[6a]3)	C[6](C[6]C[6]HH)(O[6]C[6])(OB){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|H<1>}	O(C[6]C[6]O[6])(BC[6a]3)	118.7100	0.000	1	118.7100	0.000	1	120.1260	1.675	3	120.3062	1.220	6	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	4:2:2:	4:3:	3:4:	C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:B-4:	C[6](C[6]O[6]CH)(O[6]C[6])(OB)	O[6](C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[6]O[6])(BC[6a]3)	C[6](C[6]O[6]CH)(O[6]C[6])(OB){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[6]O[6])(BC[6a]3)	120.8340	0.585	2	120.8340	0.343	2	120.1260	1.675	3	120.3062	1.220	6	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	4:2:2:	4:3:	3:4:	C[6]-4:O[6]-2:O-2:	In[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6,6]CC)(O[6]In[6])(OC)	O[6](In[6]C[6,6]Br2)(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6,6]CC)(O[6]In[6])(OC){2|Br<1>,1|H<1>,2|C<4>}	O[6](In[6]C[6,6]Br2)(C[6]C[6]O){1|H<1>,4|C<4>}	O(C[6]C[6]O[6])(CH3)	120.9820	0.000	1	120.9820	0.000	1	121.1330	0.046	2	120.3062	1.220	6	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	4:2:2:	4:3:	3:4:	C[6]-4:O[6]-2:O-2:	In[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]CC)(O[6]In[6])(OC)	O[6](In[6]C[6]Br2)(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]CC)(O[6]In[6])(OC){2|Br<1>,1|H<1>,2|C<4>}	O[6](In[6]C[6]Br2)(C[6]C[6]O){2|H<1>,3|C<4>}	O(C[6]C[6]O[6])(CH3)	121.2840	0.000	1	121.2840	0.000	1	121.1330	0.046	2	120.3062	1.220	6	116.9920	19.201	35	116.9920	19.201	35
762	622	893	0:SP2_SP2_SP2	C[6]	O[6]	O	4:2:2:	6:3:	3:4:	C[6]-4:O[6]-2:O-2:	Nb[6]-6:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC)	O[6](Nb[6]O[6]Cl3O)(C[6]C[6]O)	O(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC){3|Cl<1>,3|O<2>}	O[6](Nb[6]O[6]Cl3O)(C[6]C[6]O){1|C<3>,2|H<1>}	O(C[6]C[6]O[6])(CH3)	122.4700	0.182	2	122.4700	0.033	2	122.4700	0.033	2	122.4700	0.033	2	116.9920	19.201	35	116.9920	19.201	35
762	622	901	0:SP2_SP1_SP2	C[6]	O[6]	N	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:N-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(N){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|H<1>,3|C<3>}	N(C[6]C[6]O[6])	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	119.1980	0.378	2	119.1980	0.378	2
762	622	901	0:SP2_SP1_SP2	C[6]	O[6]	N	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:N-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[6]HH)(O[6]C[6])(N)	O[6](C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]O[6])	C[6](C[6]N[6]HH)(O[6]C[6])(N){2|H<1>,3|C<4>}	O[6](C[6]C[6]HH)(C[6]C[6]N){1|N<4>,4|H<1>}	N(C[6]C[6]O[6])	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	119.1980	0.378	2	119.1980	0.378	2
762	622	909	0:SP2_SP2_SP2	C[6]	O[6]	S	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:S-2:	B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(O[6]B[6])(SC)	O[6](B[6]O[6]FF)(C[6]C[6]S)	S(C[6]C[6]O[6])(CH3)	C[6](C[6]C[6]H)(O[6]B[6])(SC){1|C<3>,1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(C[6]C[6]S){1|C<3>,1|H<1>}	S(C[6]C[6]O[6])(CH3)	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1	117.5570	0.000	1
762	622	914	0:SP2_SP2_SP2	C[6,6]	O[6]	N[6]	4:2:2:	3:3:	3:3:	C[3x6]-4:N[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6])(O[6]C[6])	O[6](C[6,6]C[3x6]N[6])(C[6]C[6]C)	N[6](C[6,6]C[3x6]O[6])(C[6]C[6]N)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6])(O[6]C[6]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O[6](C[6,6]C[3x6]N[6])(C[6]C[6]C){1|C<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[3x6]O[6])(C[6]C[6]N){1|C<3>,2|C<2>,2|C<4>}	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1	115.2090	0.000	1
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:1:	4:3:	3:3:	N[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	N[6,6a]-3:C[6]-3:	C[6](N[6]N[6,6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H)	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H)	C[6](N[6]N[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]N[6]H){1|N<2>,1|N<3>}	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	129.1410	0.000	1	129.1410	0.000	1	129.1410	0.000	1	122.5307	35.708	3	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:1:	4:3:	3:3:	N[6]-2:O[6]-2:O-1:	C[6]-4:C[6]-3:	S[6]-3:C[6]-3:	C[6](N[6]S[6])(O[6]C[6])(O)	O[6](C[6]C[6]CH)(C[6]N[6]O)	N[6](S[6]C[6a]C[6])(C[6]O[6]O)	C[6](N[6]S[6])(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|S<3>,2|H<1>}	N[6](S[6]C[6a]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	122.5307	35.708	3	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:1:	4:3:	3:3:	O[6]-2:N[6]-2:O-1:	C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6])(N[6]C[6])(O)	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]O[6]O)	C[6](O[6]C[6,6])(N[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]O[6]O){3|C<4>}	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	122.5307	35.708	3	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:1:	4:3:	4:3:	N[6]-2:O[6]-2:O-1:	C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:	C[6](N[6]C[5,6])(O[6]C[6])(O)	O[6](C[6]C[5,6]HH)(C[6]N[6]O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[6](N[6]C[5,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	124.4650	39.498	2	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:1:	4:3:	4:3:	O[6]-2:N[6]-2:H-1:	Si[6]-4:C[6]-3:	N[6]-4:C[6]-3:	C[6](O[6]Si[6])(N[6]N[6])(H)	O[6](Si[6]C[6]CO)(C[6]N[6]H)	N[6](N[6]C[6]CC)(C[6]O[6]H)	C[6](O[6]Si[6])(N[6]N[6])(H){1|O<2>,4|C<4>}	O[6](Si[6]C[6]CO)(C[6]N[6]H){1|N<4>,2|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]H){1|Si<4>,2|H<1>}	128.9090	0.000	1	128.9090	0.000	1	128.9090	0.000	1	124.4650	39.498	2	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:2:	4:3:	3:3:	N[6]-2:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6])(NC)	O[6](C[6]C[6,6a]HH)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)	C[6](N[6]C[6,6a])(O[6]C[6])(NC){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N){1|C<4>,1|F<1>,2|C<3>}	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:2:	4:3:	4:3:	N[6]-2:O[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(OC)	O[6](C[6]C[6]CH)(C[6]N[6]O)	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)	C[6](N[6]C[6])(O[6]C[6])(OC){2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]N[6]O){1|C<4>,2|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O){2|H<1>,4|C<4>}	129.2410	0.000	1	129.2410	0.000	1	129.2410	0.000	1	129.2410	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	3:3:	3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CCN)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]H)(C[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CCN){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]O[6]C){2|C<3>}	121.3540	0.000	1	121.3540	0.000	1	120.8489	0.684	8	120.8489	0.684	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	3:3:	3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C){4|C<3>}	121.9880	0.000	1	121.9880	0.000	1	120.8489	0.684	8	120.8489	0.684	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	3:3:	3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C){4|C<3>}	119.7920	0.000	1	120.1767	0.279	4	120.8489	0.684	8	120.8489	0.684	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	3:3:	3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]C){4|C<3>}	120.3050	0.566	3	120.1767	0.279	4	120.8489	0.684	8	120.8489	0.684	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	3:3:	3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]H)(C[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]O[6]C){2|C<3>}	121.3710	0.211	2	121.3710	0.044	2	120.8489	0.684	8	120.8489	0.684	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	3:3:	4:3:	O[6]-2:N[6]-2:N-3:	C[5a,6]-3:C[6]-3:	S[6]-4:C[6]-3:	C[6](O[6]C[5a,6])(N[6]S[6])(NCC)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)	N[6](S[6]N[5a,6]OO)(C[6]O[6]N)	C[6](O[6]C[5a,6])(N[6]S[6])(NCC){1|C<3>,1|N<3>,2|O<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	N[6](S[6]N[5a,6]OO)(C[6]O[6]N){1|C<3>,1|N<2>}	125.1340	0.000	1	125.1340	0.000	1	125.1340	0.000	1	125.1340	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:O[6]-2:C-3:	B[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6](N[6]C[6,6])(O[6]B[6])(CCH)	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6](N[6]C[6,6])(O[6]B[6])(CCH){1|C<3>,1|N<3>,2|F<1>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	124.7230	0.000	1	124.7230	0.000	1	124.7230	0.000	1	126.2010	1.641	3	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:3:	4:3:	3:3:	N[6]-2:O[6]-2:C-3:	C[6]-4:C[6]-3:	N[6]-3:C[6]-3:	C[6](N[6]N[6])(O[6]C[6])(COO)	O[6](C[6]C[6]HH)(C[6]N[6]C)	N[6](N[6]C[6a]C[6])(C[6]O[6]C)	C[6](N[6]N[6])(O[6]C[6])(COO){2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|N<3>,1|O<1>}	N[6](N[6]C[6a]C[6])(C[6]O[6]C){1|C<4>,1|O<1>,2|C<3>}	126.9400	0.074	2	126.9400	0.005	2	126.9400	0.005	2	126.2010	1.641	3	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	3:3:	N[6]-2:O[6]-2:C-4:	B[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	125.1996	0.243	5	125.1996	0.059	5	125.1996	0.059	5	125.6000	0.569	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	3:3:	N[6]-2:O[6]-2:C-4:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3)	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3){1|O<2>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	126.0690	0.000	1	126.0690	0.000	1	126.0690	0.000	1	125.6000	0.569	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	3:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C){1|Br<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	127.2480	0.000	1	127.2480	0.000	1	126.3665	1.554	2	125.6000	0.569	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	3:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6])(CH3)	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6](N[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,3|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	125.4850	0.000	1	125.4850	0.000	1	126.3665	1.554	2	125.6000	0.569	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]C[6])(CCCH)	O[6](C[6]C[6,6]HH)(C[6]N[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)	C[6](N[6]C[6,6])(O[6]C[6])(CCCH){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]N[6]C){3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C){1|C<3>,2|H<1>,3|C<4>}	127.8690	0.000	1	127.8690	0.000	1	127.6483	0.322	3	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]CH)(C[6]N[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)	C[6](N[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<2>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	127.0040	0.000	1	127.0040	0.000	1	127.6483	0.322	3	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)	C[6](N[6]C[6,6])(O[6]C[6])(CH3){2|H<1>,3|C<4>}	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	128.0720	0.000	1	128.0720	0.000	1	127.6483	0.322	3	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCCN)	O[6](C[6]C[6]HH)(C[6]N[6]C)	N[6](C[6]C[6]HH)(C[6]O[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCCN){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]C){1|C<4>,2|H<1>}	127.4790	0.000	1	127.4790	0.000	1	128.1674	14.089	5	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCHN)	O[6](C[6]C[6]CH)(C[6]N[6]C)	N[6](C[6]C[6]CH)(C[6]O[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]N[6]C){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]C){1|C<4>,2|H<1>}	121.8730	0.000	1	121.8730	0.000	1	128.1674	14.089	5	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCl3)	O[6](C[6]C[6]HH)(C[6]N[6]C)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C){1|C<4>,2|C<3>,2|H<1>}	130.5125	0.090	2	130.5125	0.008	2	128.1674	14.089	5	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCl3)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	N[6](C[6]C[6]CH)(C[6]O[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]C){1|C<4>,2|H<1>}	130.4600	0.000	1	130.4600	0.000	1	128.1674	14.089	5	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	4:3:	4:3:	O[6]-2:N[6]-2:C-4:	Si[6]-4:C[6]-3:	N[6]-4:C[6]-3:	C[6](O[6]Si[6])(N[6]N[6])(CF3)	O[6](Si[6]C[6]ClC)(C[6]N[6]C)	N[6](N[6]C[6]CC)(C[6]O[6]C)	C[6](O[6]Si[6])(N[6]N[6])(CF3){1|Cl<1>,4|C<4>}	O[6](Si[6]C[6]ClC)(C[6]N[6]C){1|N<4>,2|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<4>,2|H<1>}	130.4910	0.000	1	130.4910	0.000	1	130.4910	0.000	1	128.2526	7.893	9	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	5:3:	4:3:	O[6]-2:N[6]-2:C-4:	Si[6,6]-5:C[6]-3:	N[6]-4:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CC3)	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	N[6](N[6]C[6]CC)(C[6]O[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CC3){1|Cl<1>,1|O<2>,4|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	127.6360	0.000	1	127.6360	0.000	1	131.6148	4.475	6	131.6148	4.475	6	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	5:3:	4:3:	O[6]-2:N[6]-2:C-4:	Si[6,6]-5:C[6]-3:	N[6]-4:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	N[6](N[6]C[6]CC)(C[6]O[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){1|Cl<1>,1|O<2>,4|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	131.9800	0.000	1	131.9800	0.000	1	131.6148	4.475	6	131.6148	4.475	6	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	5:3:	4:3:	O[6]-2:N[6]-2:C-4:	Si[6,6]-5:C[6]-3:	N[6]-4:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C)	N[6](N[6]C[6]CC)(C[6]O[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){2|O<2>,4|C<4>}	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<5>,2|H<1>}	132.5182	1.024	4	132.5182	1.049	4	131.6148	4.475	6	131.6148	4.475	6	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:2:4:	6:3:	4:3:	O[6]-2:N[6]-2:C-4:	Si[6,6]-6:C[6]-3:	N[6]-4:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	N[6](N[6]C[6]CC)(C[6]O[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){2|Cl<1>,1|O<2>,4|C<4>}	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	N[6](N[6]C[6]CC)(C[6]O[6]C){1|Si<6>,2|H<1>}	131.7685	0.360	2	131.7685	0.130	2	131.7685	0.130	2	131.7685	0.130	2	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	2:3:2:	3:3:	3:3:	O[6]-2:C-3:N[6]-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[6,6a]H)(C[6]O[6]C)	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6]){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]O[6]C){2|C<3>}	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:2:	3:2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:N[6]-2:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	O[6](C[6]C[5a]N[6])(N[6]C[6])	N[6](C[6]C[5a]O[6])(O[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	129.2225	0.141	2	128.1290	1.510	8	128.1290	1.510	8	128.1290	1.510	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:2:	3:2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:N[6]-2:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	O[6](C[6]C[5a]N[6])(N[6]C[6])	N[6](C[6]C[5a]O[6])(O[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|O<2>,2|N<2>}	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	127.7645	1.213	6	128.1290	1.510	8	128.1290	1.510	8	128.1290	1.510	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:N[6]-3:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	O[6](C[6]C[5a]N[6])(N[6]C[6]Co)	N[6](C[6]C[5a]O[6])(O[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|Co<6>,1|C<3>,1|O<2>,2|N<2>}	O[6](C[6]C[5a]N[6])(N[6]C[6]Co){1|N<2>,1|O<2>,2|C<3>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	125.9730	1.516	2	125.9730	2.298	2	125.9730	2.298	2	125.9730	2.298	2	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]C[5])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[5])(C[6]C[6a]N[6]){6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	125.6020	0.000	1	125.6020	0.000	1	125.6495	0.054	11	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	125.6381	0.253	9	125.6381	0.064	9	125.6495	0.054	11	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]N){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	125.7990	0.000	1	125.7990	0.000	1	125.6495	0.054	11	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]N)	N[6](C[6]C[6a]O[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]N){1|N<3>,3|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]C){1|N<3>,3|C<3>}	123.8190	0.000	1	123.8190	0.000	1	123.8050	0.000	2	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]N[6]2)	N[6](C[6]C[6a]O[6])(C[6]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	O[6](C[6]C[6a]N[6])(C[6]N[6]2){2|C<4>,3|C<3>}	N[6](C[6]C[6a]O[6])(C[6]N[6]2){2|C<4>,3|C<3>}	123.7910	0.000	1	123.7910	0.000	1	123.8050	0.000	2	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]C)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	125.6975	0.156	2	125.6975	0.024	2	124.8153	1.047	4	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]O)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	123.8890	0.000	1	123.9330	0.004	2	124.8153	1.047	4	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]O)	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|H<1>,6|C<3>}	123.9770	0.000	1	123.9330	0.004	2	124.8153	1.047	4	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	3:3:	N[6]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]N[6]2)	N[6](C[6]N[6]O[6])(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	O[6](C[6]C[6a]N[6])(C[6]N[6]2){2|C<4>,3|C<3>}	N[6](C[6]N[6]O[6])(C[6]N[6]2){1|C<3>,4|C<4>}	124.1170	0.000	1	124.1170	0.000	1	124.1170	0.000	1	125.1740	0.679	18	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:3:	4:3:	C[6a]-3:O[6]-2:N[6]-2:	C[6,6a]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6]C[6,6a]HH)(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]O[6]){4|C<3>}	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	126.4190	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6])	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,4|C<3>}	126.4305	0.138	2	126.4305	0.019	2	126.6557	0.162	3	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6])	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	O[6](C[6]C[5a]N[6])(B[6]N[6,6]FF){1|O<2>,3|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	127.1060	0.000	1	127.1060	0.000	1	126.6557	0.162	3	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(C[6]C[6]HH)	N[6](C[6]C[5a]O[6])(N[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6]){3|C<3>,4|H<1>}	O[6](C[6]C[5a]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	N[6](C[6]C[5a]O[6])(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	128.1500	0.000	1	128.1500	0.000	1	128.1500	0.000	1	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:B[6]-4:	C[5,6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	O[6](C[6]C[6a]N[6])(B[6]N[5,6]FF){4|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6]){1|B<4>,4|C<3>}	124.1788	0.425	22	124.1788	0.181	22	124.1788	0.181	22	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6])	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	123.6930	0.000	1	123.6930	0.000	1	124.7518	0.642	8	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	125.5065	0.255	2	125.5065	0.065	2	124.7518	0.642	8	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]N[6])(B[6]N[6,6]FF){4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	124.6616	0.729	5	124.6616	0.531	5	124.7518	0.642	8	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:3:	C[6a]-3:O[6]-2:N[6]-2:	C[6]-3:Si[6]-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(O[6]Si[6])(N[6]N[6])	O[6](C[6]C[6a]N[6])(Si[6]C[6]CC)	N[6](C[6]C[6a]O[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(O[6]Si[6])(N[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	O[6](C[6]C[6a]N[6])(Si[6]C[6]CC){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]O[6])(N[6]C[6]C){1|Si<4>,2|C<3>,2|H<1>}	128.7640	0.000	1	128.7640	0.000	1	128.7640	0.000	1	124.7665	1.598	35	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	3:4:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]CH)	N[6](C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[6a]N[6])(C[6]C[6]CH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	3:4:	4:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]N[6])(C[6]C[6]HO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]N[6])(C[6]C[6]HO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]){1|C<4>,2|H<1>,4|C<3>}	127.2805	0.187	2	127.2805	0.035	2	127.2805	0.035	2	127.2805	0.035	2	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	B[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6])	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6])	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6]){1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O[6](B[6,6]N[3x6]O[6]F)(C[6]C[6a]N[6]){5|C<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	125.5352	0.233	4	125.5352	0.054	4	125.5352	0.054	4	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6]){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	126.3395	0.639	2	126.3395	0.408	2	125.6049	0.648	8	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	125.3960	0.000	1	125.0503	0.090	4	125.6049	0.648	8	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6]){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	124.9350	0.236	3	125.0503	0.090	4	125.6049	0.648	8	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]){6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	125.1830	0.000	1	125.1830	0.000	1	125.6049	0.648	8	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	O[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]){6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	126.7760	0.000	1	126.7760	0.000	1	125.6049	0.648	8	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	N[6](C[6]C[6a]O[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	127.9890	0.000	1	127.9890	0.000	1	127.2825	0.998	2	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:3:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	N[6](C[6]C[6a]O[6])(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	126.5760	0.000	1	126.5760	0.000	1	127.2825	0.998	2	125.8246	0.821	14	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:4:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	127.1735	0.872	2	127.1735	0.760	2	127.4617	0.629	3	127.3386	0.926	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:4:	C[6a]-3:N[6]-2:O[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	128.0380	0.000	1	128.0380	0.000	1	127.4617	0.629	3	127.3386	0.926	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:4:	C[6a]-3:O[6]-2:N[6]-2:	C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6])	N[6](C[6]C[6a]O[6])(C[6]C[5,6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]){1|Cl<1>,1|C<4>,1|S<4>,4|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>}	126.0565	0.524	2	126.0565	0.275	2	127.2648	1.288	5	127.3386	0.926	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	3:4:	C[6a]-3:O[6]-2:N[6]-2:	C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	128.0703	0.076	3	128.0703	0.006	3	127.2648	1.288	5	127.3386	0.926	8	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	3:2:2:	4:3:	4:3:	C[6a]-3:O[6]-2:N[6]-2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6])	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6])	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]N[6]){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]){1|H<1>,2|C<4>,4|C<3>}	126.4350	0.000	1	126.4350	0.000	1	126.4350	0.000	1	126.4350	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	4:2:2:	3:3:	3:3:	C[3x6]-4:N[6]-2:O[6]-2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[3x6]C[6,6]3)(N[6]N[6])(O[6]C[6])	O[6](C[6]C[3x6]N[6])(C[6]C[6]C)	N[6](C[6]C[3x6]O[6])(N[6]C[6a]C[6])	C[6](C[3x6]C[6,6]3)(N[6]N[6])(O[6]C[6]){2|C<3>,4|C<4>,6|H<1>}	O[6](C[6]C[3x6]N[6])(C[6]C[6]C){1|H<1>,1|N<3>,4|C<4>}	N[6](C[6]C[3x6]O[6])(N[6]C[6a]C[6]){1|H<1>,3|C<3>,4|C<4>}	125.1050	0.000	1	125.1050	0.000	1	125.1050	0.000	1	125.1050	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	914	6:SP2_SP2_SP2	C[6]	O[6]	N[6]	4:2:2:	4:3:	4:3:	C[6]-4:O[6]-2:N[6]-2:	C[5,6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6])	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6])	N[6](C[6]C[5,6]HH)(C[6]C[6]O[6])	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6]){4|C<4>,7|H<1>}	O[6](C[5,6]C[5,6]2H)(C[6]C[6]N[6]){2|H<1>,7|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O[6]){2|H<1>,4|C<4>}	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	125.7825	7.793	137	125.7825	7.793	137
762	622	924	0:SP2_SP-NON_SP2	C[6]	O[6]	Br	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(Br)	O[6](C[6]C[5a]C[6])(C[6]C[6]Br)	Br(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(Br){1|H<1>,3|C<3>}	O[6](C[6]C[5a]C[6])(C[6]C[6]Br){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	Br(C[6]C[6]O[6])	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1
762	622	930	0:SP2_SP2_SP2	C[6,6]	O[6,6]	C	4:2:3:	4:3:	3:1:1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:C[6,6]-3:	C[6,6]-3:Cl-1:Cl-1:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2)	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)	C(C[6,6]C[3x6]O[6,6])(Cl)2	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(CCl2){1|C<3>,2|C<4>,3|H<1>}	O[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]O[6,6])(Cl)2	115.7090	0.000	1	115.7090	0.000	1	115.7090	0.000	1	115.7090	0.000	1	117.5470	6.756	2	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6,6]	O[6,6]	C	4:2:3:	4:3:	3:4:2:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:C[6,6]-3:	C[6,6]-3:C-4:O-2:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO)	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C)	C(C[6,6]C[3x6]O[6,6])(CH3)(OC)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(O[6,6]C[3x6])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]O[6,6])(CH3)(OC)	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	117.5470	6.756	2	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[5a]-3:C[6]-3:N-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[5a]C[5a]S[5a])(C[6]N[6]O[6])(NCS)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[5a]N){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(C[6]N[6]O[6])(NCS)	117.2090	0.000	1	117.2090	0.000	1	117.2090	0.000	1	116.7186	1.416	8	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:N-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CCN)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]O[6])(CCH)(NCS)	C[6](O[6]C[6,6a])(N[6]C[6])(CCN){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C(C[6]N[6]O[6])(CCH)(NCS)	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	116.7186	1.416	8	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:N-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	116.3100	1.602	2	116.5463	1.840	6	116.5463	1.840	6	116.7186	1.416	8	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:N-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,3|C<3>}	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	114.5320	0.000	1	116.5463	1.840	6	116.5463	1.840	6	116.7186	1.416	8	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:3:	O[6]-2:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:N-3:	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	117.3753	0.448	3	116.5463	1.840	6	116.5463	1.840	6	116.7186	1.416	8	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:4:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	O[6](C[6]C[6]O)(C[6]S[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<3>,2|C<4>}	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	118.2690	0.000	1	118.8980	0.791	2	119.3303	0.956	3	119.3303	0.956	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:4:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	O[6](C[6]C[6]O)(C[6]S[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|N<2>,1|O<1>}	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<4>,2|C<3>}	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	119.5270	0.000	1	118.8980	0.791	2	119.3303	0.956	3	119.3303	0.956	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	3:3:	3:3:4:	O[6]-2:S[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	O[6](C[6]C[6]O)(C[6]S[6]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|O<1>,1|S<1>}	O[6](C[6]C[6]O)(C[6]S[6]C){1|C<4>,2|C<3>}	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	120.1950	0.000	1	120.1950	0.000	1	119.3303	0.956	3	119.3303	0.956	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	4:3:	3:2:1:	N[6]-2:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]N[6])(O[6]C[6])(COO)	O[6](C[6]C[6]HH)(C[6]N[6]C)	C(C[6]N[6]O[6])(OC)(O)	C[6](N[6]N[6])(O[6]C[6])(COO){2|C<3>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|N<3>,1|O<1>}	C(C[6]N[6]O[6])(OC)(O)	112.5090	0.318	2	112.5090	0.101	2	112.5090	0.101	2	112.5090	0.101	2	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:2:3:	4:3:	3:3:1:	N[6]-2:O[6]-2:C-3:	B[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6])(O[6]B[6])(CCH)	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	C(C[6]N[6]O[6])(CCH)(H)	C[6](N[6]C[6,6])(O[6]B[6])(CCH){1|C<3>,1|N<3>,2|F<1>}	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	C(C[6]N[6]O[6])(CCH)(H)	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:2:	3:3:	3:4:3:	O[6]-2:C-3:N[6]-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[3]-4:N[5]-3:	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]O[6])(C[3]C[3]2H)(N[5]C[5]2)	C[6](O[6]C[6,6a])(CC[3]N[5])(N[6]C[6]){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,3|C<3>}	C(C[6]N[6]O[6])(C[3]C[3]2H)(N[5]C[5]2)	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	116.9670	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	113.0860	0.000	1	111.6370	4.199	2	112.9730	7.454	3	112.9730	7.454	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){2|C<3>,2|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	110.1880	0.000	1	111.6370	4.199	2	112.9730	7.454	3	112.9730	7.454	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]H)(COO)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6a])(C[6]O[6]H)(COO){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	115.6450	0.000	1	115.6450	0.000	1	112.9730	7.454	3	112.9730	7.454	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:2:2:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-2:S-2:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CN)(SC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CN)(SC)	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.8410	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	117.1320	16.192	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H){3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	117.1320	16.192	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	117.1320	16.192	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:3:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	117.5710	0.000	1	117.5710	0.000	1	118.1295	0.624	2	117.5960	1.166	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:3:	O[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|Br<1>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	118.6880	0.000	1	118.6880	0.000	1	118.1295	0.624	2	117.5960	1.166	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:3:	O[6]-2:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C(C[6]N[6]O[6])(CHO)2	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6]N[6]O[6])(CHO)2	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	117.5960	1.166	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	3:3:	3:3:4:	O[6]-2:C-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:P[6]-4:	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	115.5730	0.983	3	115.5730	0.966	3	115.5730	0.966	3	115.5730	0.966	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	4:3:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(COO)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C){2|H<1>,3|C<4>}	C(C[6]C[6]O[6])(OC)(O)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	111.3972	1.819	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	4:3:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-3:	C[6]-3:S-2:O-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(COS)	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)	C(C[6]C[6]O[6])(SC)(O)	C[6](O[6]C[5,6])(C[6]C[6]H)(COS){1|C<4>,2|C<3>,2|H<1>}	O[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(SC)(O)	111.2150	0.000	1	111.2150	0.000	1	111.2150	0.000	1	111.3972	1.819	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	4:3:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6,6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(COO)	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	112.1720	1.534	2	112.1720	2.354	2	112.1720	2.354	2	111.3972	1.819	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:3:3:	4:3:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6,6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH)	O[6](C[6,6]C[6]2O[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH){1|O<2>,4|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	113.1480	0.467	2	113.1480	0.218	2	113.1480	0.218	2	113.1480	0.218	2	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:1:1:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]CC)(CHH){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]O[6])(H)2	115.7185	0.565	2	115.7185	0.319	2	115.7185	0.319	2	115.7185	0.319	2	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<2>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]O[6])(COO)(H)	115.0160	0.000	1	114.1522	0.416	4	114.3382	0.342	6	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(COO)(H)	113.8643	0.356	3	114.1522	0.416	4	114.3382	0.342	6	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH)	O[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(CCH){1|H<1>,1|S<2>,2|C<3>}	O[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(COO)(H)	114.7100	0.215	2	114.7100	0.046	2	114.3382	0.342	6	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(COO)(H)	115.4220	0.000	1	115.4220	0.000	1	118.2270	15.736	2	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CNO)(H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(CCH){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(CNO)(H)	121.0320	0.000	1	121.0320	0.000	1	118.2270	15.736	2	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	117.8030	0.000	1	117.8030	0.000	1	119.1893	4.378	6	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	119.2085	2.467	4	119.2085	6.084	4	119.1893	4.378	6	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:1:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	120.4990	0.000	1	120.4990	0.000	1	119.1893	4.378	6	116.9728	8.739	14	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:3:4:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[5a]O)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(CC[5a]O)(CH3)	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	115.8970	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:4:3:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]HH)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(CC[6a]HH)(CCO)	115.1120	0.031	2	115.1120	0.001	2	115.0250	0.023	3	115.0250	0.023	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:4:3:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]HH)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCC){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(CC[6a]HH)(COO)	114.8510	0.000	1	114.8510	0.000	1	115.0250	0.023	3	115.0250	0.023	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	2:4:3:	3:3:	3:4:4:	O[6]-2:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:P[6]-4:C-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CP[6]C)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(P[6]O[6]2O)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CP[6]C){1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(P[6]O[6]2O)(CH3)	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHH)	O[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]O[6])(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<1>}	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6])(H)2	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH){1|S<2>,2|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C){2|C<4>,3|C<3>}	C(C[6]C[6,6]O[6])(CN)(H)	116.1710	0.000	1	116.1710	0.000	1	116.1710	0.000	1	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|C<4>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6]O[6])(CN)(H)	115.3140	0.000	1	115.1372	0.076	4	115.1372	0.076	4	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6]C){2|C<4>,3|C<3>}	C(C[6]C[6,6]O[6])(CN)(H)	115.0783	0.304	3	115.1372	0.076	4	115.1372	0.076	4	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO)	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(OC)(O)	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6,6]O)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	110.3860	0.000	1	110.3860	0.000	1	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	109.8887	1.104	3	110.2306	0.546	7	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	110.4200	0.247	2	110.2306	0.546	7	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,3|C<4>}	C(C[6]C[6]O[6])(OC)(O)	110.2840	0.000	1	110.2306	0.546	7	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	110.8240	0.000	1	110.2306	0.546	7	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(OC)(O)	113.1800	0.000	1	112.4470	11.060	3	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6])(OC)(O)	115.3450	0.000	1	112.4470	11.060	3	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(OC)(O)	108.8160	0.000	1	112.4470	11.060	3	110.8492	3.595	11	111.9576	8.147	17	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H){1|H<1>,2|C<3>,2|N<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(H)	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	115.7460	0.576	3	115.7460	0.332	3	115.7460	0.332	3	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(NOO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6])(NOO)(H)	117.9860	0.000	1	117.9860	0.000	1	117.7260	0.135	2	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(NSS)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C(C[6]C[6,6a]O[6])(NSS)(H)	117.4660	0.000	1	117.4660	0.000	1	117.7260	0.135	2	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C(C[6]C[6]O[6])(COO)(H)	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6,6]H)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|H<1>,2|C<3>}	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(CCH)(H)	112.7675	0.230	2	112.7675	0.053	2	113.9093	0.781	9	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,2|C<3>}	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CCH)(H)	115.6830	0.000	1	115.6830	0.000	1	113.9093	0.781	9	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[5a]H)(H)	114.0405	0.101	2	114.0405	0.010	2	113.9093	0.781	9	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	113.6890	0.235	2	113.6890	0.055	2	113.9093	0.781	9	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]C){2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	114.2535	0.064	2	114.2535	0.004	2	113.9093	0.781	9	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]O)(O[6]C[6])(CNS)	O[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]O[6])(NCH)(S)	C[6](C[6]C[6]O)(O[6]C[6])(CNS){1|C<3>,1|H<1>,1|S<1>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(NCH)(S)	111.2580	0.027	2	111.2580	0.001	2	111.2580	0.001	2	114.8447	5.005	18	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C)	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	115.7150	0.000	1	115.7150	0.000	1	115.7150	0.000	1	113.4297	2.475	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:3:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2)	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	113.4297	2.475	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:3:3:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC)	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC){1|H<1>,5|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<2>,1|C<4>,3|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	112.4080	0.236	2	112.4080	0.056	2	112.4080	0.056	2	113.4297	2.475	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(CC3)(H)	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH){1|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6])(CC3)(H)	117.8390	0.000	1	117.8390	0.000	1	117.8390	0.000	1	115.8770	3.811	6	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI)	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(CCHH)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C(C[6]C[6,6a]O[6])(CCHH)(I)	115.5920	1.953	2	115.5920	3.814	2	115.5920	3.814	2	115.8770	3.811	6	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:Si-4:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI)	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(SiC3)(I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]C){4|C<3>}	C(C[6]C[6,6a]O[6])(SiC3)(I)	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	115.8770	3.811	6	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:4:1:	C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,3|C<3>}	C(C[6]C[6]O[6])(CH3)(H)	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	115.8770	3.811	6	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:4:1:	C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:Si-4:H-1:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH){5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,4|C<3>}	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	115.8770	3.811	6	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:3:	3:4:4:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:P-4:P-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)	C(C[6]C[6,6a]O[6])(PC[6a]2O)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]C){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6])(PC[6a]2O)2	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6]-3:C[6]-4:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO)	O[6](C[6]C[6,6]C)(C[6]C[6]CO)	C(C[6]C[6,6]O[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO){1|O<2>,3|H<1>,4|C<4>}	O[6](C[6]C[6,6]C)(C[6]C[6]CO){2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6])(OC)(O)	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	110.6630	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:B[6]-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C(C[6]C[6,6a]O[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C(C[6]C[6,6a]O[6])(CCH)(H)	115.9220	0.000	1	115.9830	0.007	2	116.3372	0.215	6	116.7947	1.645	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:B[6]-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C(C[6]C[6,6a]O[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|O<1>,1|O<2>,2|F<1>,2|N<3>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C(C[6]C[6,6a]O[6])(CCH)(H)	116.0440	0.000	1	115.9830	0.007	2	116.3372	0.215	6	116.7947	1.645	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:B[6]-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	116.3177	0.337	3	116.3177	0.114	3	116.3372	0.215	6	116.7947	1.645	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:B[6]-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	O[6](C[6]C[6,6a]C)(B[6]O[6]OO)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,2|C<3>,3|O<2>}	O[6](C[6]C[6,6a]C)(B[6]O[6]OO){2|C<3>}	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	117.1040	0.000	1	117.1040	0.000	1	116.3372	0.215	6	116.7947	1.645	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:3:1:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:C[6]-4:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)	O[6](C[6]C[6,6a]C)(C[6]C[6]HH)	C(C[6]C[6,6a]O[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	C(C[6]C[6,6a]O[6])(COO)(H)	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	116.7947	1.645	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	3:4:	3:3:3:	C[6,6a]-3:O[6]-2:C-3:	C[6]-3:B[6]-4:	C[6]-3:C[6a]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C)	O[6](C[6]C[6,6a]C)(B[6]O[6]FF)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	O[6](C[6]C[6,6a]C)(B[6]O[6]FF){2|C<3>}	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:1:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(CHO)	O[6](C[6]C[6]HO)(C[6]C[6]C)	C(C[6]C[6]O[6])(H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CHO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(H)(O)	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	113.2510	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(COO)	O[6](C[6]C[5,6]CC)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[5,6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,3|C<4>}	O[6](C[6]C[5,6]CC)(C[6]C[6]C){2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	110.9100	0.301	2	110.9100	0.091	2	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(COO)	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6,6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[6](C[6]C[6,6]N[5]H)(C[6]C[6]C){2|H<1>,4|C<4>}	C(C[6]C[6]O[6])(OC)(O)	114.0040	0.000	1	114.0040	0.000	1	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	110.6630	1.587	2	110.6630	2.518	2	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	114.6770	0.000	1	114.6770	0.000	1	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]CO)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(OC)(O)	110.8200	0.000	1	110.8200	0.000	1	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]HO)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<3>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6])(OC)(O)	114.4500	0.000	1	114.4500	0.000	1	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	O[6](C[6]C[6]HO)(C[6]C[6]C)	C(C[6]C[6]O[6])(OC[6])(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]C){2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(OC[6])(O)	109.6770	0.000	1	109.6770	0.000	1	111.8638	4.046	9	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:S-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COS)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C)	C(C[6]C[6]O[6])(SC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COS){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(SC)(O)	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	111.9854	3.744	10	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	B[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	O[6](B[6]O[6]FF)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CCH)(H)	117.9360	0.000	1	117.9360	0.000	1	116.6672	0.740	4	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	B[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	O[6](B[6]O[6]FF)(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CC[5a]H)(H)	116.1665	0.194	2	116.1665	0.038	2	116.6672	0.740	4	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	B[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	O[6](B[6]O[6]FF)(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	116.4000	0.000	1	116.4000	0.000	1	116.6672	0.740	4	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCH)(H)	114.0378	0.747	4	114.0378	0.558	4	113.7556	1.091	8	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]HO)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]C){1|C<4>,1|N<4>,2|H<1>}	C(C[6]C[6]O[6])(CCH)(H)	113.4735	1.332	4	113.4735	1.774	4	113.7556	1.091	8	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCO)	O[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CCO){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(CCC)(O)	112.2990	0.000	1	112.2990	0.000	1	112.2990	0.000	1	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	O[6](C[6]O[6]CC)(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|O<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	120.6300	0.429	4	120.6300	0.184	4	120.6300	0.184	4	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(O[6]C[6])(CNO)	O[6](C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]O[6])(NHO)(O)	C[6](C[6]C[6]C)(O[6]C[6])(CNO){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(NHO)(O)	109.0640	0.000	1	109.0640	0.000	1	110.4765	3.990	2	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(CNO)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C(C[6]C[6]O[6])(NCH)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CNO){1|H<1>,2|C<3>,2|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]O[6])(NCH)(O)	111.8890	0.000	1	111.8890	0.000	1	110.4765	3.990	2	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	N[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	O[6](C[6]C[6]HH)(C[6]N[6]C)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,1|H<1>,1|S<4>}	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	123.4190	0.000	1	123.4190	0.000	1	123.4190	0.000	1	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:1:	N[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	O[6](C[6]C[6]HH)(C[6]N[6]C)	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	123.5960	0.000	1	123.5960	0.000	1	123.5960	0.000	1	116.1667	16.455	21	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:2:3:	4:3:	3:3:3:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2)	O[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	118.4690	0.301	4	118.4690	0.091	4	118.4690	0.091	4	118.4690	0.091	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	3:3:2:	3:3:	3:3:3:	N[6]-3:C-3:O[6]-2:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6])	O[6](C[6]C[6,6a]O)(C[6]N[6]C)	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]N[6]C){1|Ni<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:1:1:	C[3,6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)	C(C[6]C[3,6]O[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]O[6])(H)2	117.2720	0.000	1	117.2720	0.000	1	117.2720	0.000	1	117.6033	1.856	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]P[6]C)(O[6]C[6,6a])(CHH){1|H<1>,2|C<3>,2|O<1>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(H)2	116.5120	0.000	1	116.5120	0.000	1	118.3423	2.788	3	117.6033	1.856	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6a]N[6]H)(O[6]C[6,6a])(CHH){1|C<4>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)2	119.2575	0.742	2	119.2575	0.550	2	118.3423	2.788	3	117.6033	1.856	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CHH)	O[6](C[6]C[6]C)(C[6]N[6]O)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]HH)(O[6]C[6])(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O[6](C[6]C[6]C)(C[6]N[6]O){1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(H)2	117.5615	0.750	2	117.5615	0.563	2	116.9747	1.315	3	117.6033	1.856	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:1:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH)	O[6](C[6]C[6]C)(C[6]O[6]N)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CHH){1|N<3>,1|O<2>,4|C<3>}	O[6](C[6]C[6]C)(C[6]O[6]N){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(H)2	115.8010	0.000	1	115.8010	0.000	1	116.9747	1.315	3	117.6033	1.856	7	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[5,6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH)	O[6](C[6]C[6a]C[6])(C[6]C[5,6]C)	C(C[6]C[5,6]O[6])(COO)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH){1|N<3>,3|C<3>,3|H<1>}	O[6](C[6]C[6a]C[6])(C[6]C[5,6]C){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]O[6])(COO)(H)	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CCO)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[5a,6])(CCH){1|H<1>,1|N<3>,4|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]O[6])(CCO)(H)	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	O[6](C[6,6]C[6,6]2)(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]2)(C[6]C[6]C){3|H<1>,4|C<4>}	C(C[6]C[6]O[6])(COO)(H)	114.8270	0.000	1	114.8270	0.000	1	115.0993	0.127	3	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){3|C<4>,4|H<1>}	C(C[6]C[6]O[6])(COO)(H)	115.2355	0.377	2	115.2355	0.142	2	115.0993	0.127	3	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	119.7610	0.000	1	119.7610	0.000	1	119.7610	0.000	1	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6]H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H){1|H<1>,5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){2|C<3>,2|H<1>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(COO)(H)	115.2540	0.000	1	115.2540	0.000	1	118.3958	9.625	6	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(COO)(H)	115.2940	0.000	1	115.2940	0.000	1	118.3958	9.625	6	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	O[6](C[6]C[3x6]N[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|C<3>,1|C<4>,1|N<2>}	O[6](C[6]C[3x6]N[6])(C[6]C[6]C){1|H<1>,1|N<3>,4|C<4>}	C(C[6]C[6]O[6])(COO)(H)	121.4300	0.000	1	121.4300	0.000	1	118.3958	9.625	6	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]CH)(O[6]C[6])(CCH)	O[6](C[6]C[6a]N[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(CCH){1|N<2>,2|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(COO)(H)	121.0965	0.183	2	121.0965	0.034	2	118.3958	9.625	6	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]S[6]HH)(O[6]C[6])(CCH)	O[6](C[6]C[5a]C[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]S[6]HH)(O[6]C[6])(CCH){2|C<3>}	O[6](C[6]C[5a]C[6])(C[6]C[6]C){1|C<3>,2|H<1>,3|S<2>}	C(C[6]C[6]O[6])(COO)(H)	116.2040	0.000	1	116.2040	0.000	1	118.3958	9.625	6	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]C)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	115.0980	0.069	2	115.0980	0.005	2	115.0980	0.005	2	117.6404	7.907	16	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:4:	C[6]-4:O[6]-2:C-3:	C[5,6]-3:C[6]-3:	C[6]-3:C-3:C-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC)	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC){1|H<1>,1|N<3>,2|C<3>}	O[6](C[5,6]C[5,6]N[5])(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]O)(CH3)	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	115.6410	0.006	2	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:3:4:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:C-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC){1|H<1>,3|C<3>}	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CC[6a]O)(CH3)	115.6970	0.000	1	115.6970	0.000	1	115.6970	0.000	1	115.6410	0.006	2	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:4:1:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH)	O[6](C[6]C[6]C)(C[6]O[6]O)	C(C[6]C[6]O[6])(CCHH)(H)	C[6](C[6]C[6a]B[6]H)(O[6]C[6])(CCH){2|O<2>,4|C<3>}	O[6](C[6]C[6]C)(C[6]O[6]O){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CCHH)(H)	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:4:3:	C[6]-4:O[6]-2:C-3:	C[5,6]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C(C[6]C[6]O[6])(CC[6a]HH)(COO)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCC){1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]HH)(COO)	115.1440	0.380	2	115.1440	0.145	2	115.1440	0.145	2	114.9952	0.078	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:4:3:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCC)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(CH3)(CCO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCC){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(CH3)(CCO)	114.8280	0.000	1	114.8465	0.001	2	114.8465	0.001	2	114.9952	0.078	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:4:3:	C[6]-4:O[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]HH)(O[6]C[6])(CCC)	O[6](C[6]C[6]C)2	C(C[6]C[6]O[6])(CH3)(CCO)	C[6](C[6]C[6]HH)(O[6]C[6])(CCC){1|H<1>,3|C<3>}	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	C(C[6]C[6]O[6])(CH3)(CCO)	114.8650	0.000	1	114.8465	0.001	2	114.8465	0.001	2	114.9952	0.078	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	3:3:	3:4:4:	C[6]-4:O[6]-2:C-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]HP)(O[6]C[6,6])(CCC)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C(C[6]C[6]O[6])(CH3)2	C[6](C[6]C[6]HP)(O[6]C[6,6])(CCC){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6])(CH3)2	116.1380	0.000	1	116.1380	0.000	1	116.1380	0.000	1	116.1380	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	4:3:	3:1:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH)	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C(C[6]C[6]O[6])(H)2	C[6](C[6]C[6,6a]C[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(H)2	118.2847	0.142	3	118.2847	0.020	3	118.2847	0.020	3	118.2847	0.020	3	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	4:3:	3:2:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)	O[6](C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]O[6])(CN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6])(CN)(H)	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	4:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[5,6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH)	O[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	O[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]O[6])(CCH)(H)	116.8193	0.667	3	116.8193	0.445	3	116.8193	0.445	3	117.2355	0.990	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	4:3:	3:3:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]MoH)(O[6]C[6])(CCH)	O[6](C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]MoH)(O[6]C[6])(CCH){1|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]C){1|Mo<8>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCH)(H)	118.4840	0.000	1	118.4840	0.000	1	118.4840	0.000	1	117.2355	0.990	4	115.5571	9.733	188	115.5781	9.707	190
762	622	930	0:SP2_SP2_SP2	C[6]	O[6]	C	4:2:3:	4:3:	3:4:1:	C[6]-4:O[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-3:N[6]-4:H-1:	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H)	O[6](C[6]C[6]CO)(C[6]C[6]C)	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CN[6]H){1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(C[6]C[6]C){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6])(N[6]C[6]2C)(H)	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	115.5571	9.733	188	115.5781	9.707	190
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:2:2:	4:3:	3:3:	N[6]-2:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:C-3:	C[6](N[6]C[6,6a])(O[6]C[6])(NC)	O[6](C[6]C[6,6a]HH)(C[6]N[6]N)	N(C[6]N[6]O[6])(CC[6a]O)	C[6](N[6]C[6,6a])(O[6]C[6])(NC){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]N[6]N){2|C<3>}	N(C[6]N[6]O[6])(CC[6a]O)	115.1630	0.000	1	115.1630	0.000	1	115.1630	0.000	1	115.1630	0.000	1	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:1:	O[6]-2:C[6]-3:N-2:	C[5,6]-3:C[6]-3:	C[6]-3:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NH)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)	C[6](O[6]C[5,6])(C[6]C[6]C)(NH){1|H<1>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|N<3>,1|O<1>,2|C<4>}	N(C[6]C[6]O[6])(H)	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	112.3250	16.042	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:1:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(H)	116.9490	0.000	1	116.9490	0.000	1	113.5185	23.537	2	112.3250	16.042	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:1:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)	110.0880	0.000	1	110.0880	0.000	1	113.5185	23.537	2	112.3250	16.042	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:C[6]-3:N-2:	C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a])	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a]){1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	119.4570	0.000	1	119.4570	0.000	1	119.4570	0.000	1	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(CHN)	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	120.0060	0.000	1	119.7905	0.899	8	120.1248	1.793	9	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|N<2>,3|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	120.5560	0.000	1	119.7905	0.899	8	120.1248	1.793	9	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	119.6270	1.049	6	119.7905	0.899	8	120.1248	1.793	9	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(C[6]N[6]N)(NC[6a]){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	122.7990	0.000	1	122.7990	0.000	1	120.1248	1.793	9	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:3:	O[6]-2:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a]){1|O<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	119.9208	2.993	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:4:	O[6]-2:C[6]-3:N-2:	C[5,6]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6])	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6]C[6]2H)	C[6](O[6]C[5,6])(C[6]C[6]N)(NC[6]){2|C<3>,2|C<4>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,2|N<2>}	N(C[6]C[6]O[6])(C[6]C[6]2H)	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	121.2875	1.148	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	3:3:	3:4:	O[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:S-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]O[6])(SC[6a]OO)	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	121.2875	1.148	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:2:	4:3:	3:3:	O[6]-2:N[6]-3:N-2:	C[6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a])	O[6](C[6,6]C[6]3)(C[6]N[6]N)	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	O[6](C[6,6]C[6]3)(C[6]N[6]N){3|C<4>,7|H<1>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:1:	C[6]-3:O[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(H)	120.3040	0.000	1	120.1085	0.076	2	120.1085	0.076	2	120.1085	0.076	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:1:	C[6]-3:O[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(H)	119.9130	0.000	1	120.1085	0.076	2	120.1085	0.076	2	120.1085	0.076	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:2:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6,6a]N)(C[6]C[6]C)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]N)(C[6]C[6]C){3|C<3>}	N(C[6]C[6,6a]O[6])(OC)	120.3770	0.000	1	120.3770	0.000	1	120.2367	0.030	3	120.2367	0.030	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:2:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	N(C[6]C[6,6a]O[6])(OC)	120.0440	0.000	1	120.1665	0.030	2	120.2367	0.030	3	120.2367	0.030	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:2:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){5|C<3>}	N(C[6]C[6,6a]O[6])(OC)	120.2890	0.000	1	120.1665	0.030	2	120.2367	0.030	3	120.2367	0.030	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[5a,6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	O[6](C[6]C[5a,6]N)(C[6]C[6]C)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|C<4>,4|C<3>}	O[6](C[6]C[5a,6]N)(C[6]C[6]C){1|N<3>,2|C<3>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	121.5880	0.000	1	121.5880	0.000	1	119.2880	3.970	3	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[5a,6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	O[6](C[6]C[5a,6]N)(C[6]C[6]N)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	O[6](C[6]C[5a,6]N)(C[6]C[6]N){1|N<3>,2|C<3>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	118.1380	0.072	2	118.1380	0.005	2	119.2880	3.970	3	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	119.4270	0.000	1	120.0130	0.687	2	119.5267	1.053	3	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|I<1>,4|C<3>}	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	120.5990	0.000	1	120.0130	0.687	2	119.5267	1.053	3	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6,6a]N){4|C<3>}	N(C[6]C[6,6a]O[6])(C[6a]C[6a]2)	118.5540	0.000	1	118.5540	0.000	1	119.5267	1.053	3	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:O[6]-2:N-2:	C[5a,6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CHO)	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NC){1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N(C[6]C[6]O[6])(CHO)	115.6155	0.493	2	115.6155	0.243	2	115.6155	0.243	2	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6]C[6]C)(O[6]C[6])(NC)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(NC){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]O[6])(CHN)	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|C<2>,1|C<3>,1|C<4>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	121.1640	0.000	1	121.1640	0.000	1	121.4820	0.202	2	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]N[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|N<2>,2|C<3>}	O[6](C[6]C[6a]N[6])(C[6]C[6]N){1|N<3>,3|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)	121.8000	0.000	1	121.8000	0.000	1	121.4820	0.202	2	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:3:	N[5a,6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a])	O[6](C[6]C[6a]C[6])(C[6]N[5a,6]N)	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6a]C[5a,6])(O[6]C[6])(NC[6a]){5|C<3>}	O[6](C[6]C[6a]C[6])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	N(C[6]N[5a,6]O[6])(C[6a]C[6a]2)	122.7450	0.000	1	122.7450	0.000	1	122.7450	0.000	1	119.0924	6.496	12	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[5a,6]-3:O[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	N(C[6]C[5a,6]O[6])(CC3)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC){2|N<2>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[5a,6]O[6])(CC3)	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[5a,6]-3:O[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6])	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6]){1|N<2>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|C<4>,4|C<3>}	N(C[6]C[6,6a]O[6])(CCHH)	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	O[6](C[6]C[6,6a]N)(C[6]C[6]2)	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]N)(C[6]C[6]2){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]O[6])(SC[6a]OO)	120.0130	0.000	1	120.0130	0.000	1	119.9290	0.014	2	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	N(C[6]C[6,6a]O[6])(SC[6a]OO)	119.8450	0.000	1	119.8450	0.000	1	119.9290	0.014	2	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[6]-3:O[6]-2:N-2:	C[6,6a]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS){5|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(SC[6a]OO)	119.4660	0.000	1	119.4660	0.000	1	119.4660	0.000	1	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:3:	3:4:	C[6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS)	O[6](C[6]C[6a]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(SC[6a]OO)	117.7730	0.000	1	117.7730	0.000	1	117.7730	0.000	1	120.1310	2.324	7	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:4:	3:2:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-4:	C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]O[6])(OC)	121.2175	0.390	2	121.2175	0.152	2	121.0950	0.121	3	121.0950	0.121	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:4:	3:2:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-4:	C[6]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	N(C[6]C[6,6a]O[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]O[6])(OC)	120.8500	0.000	1	120.8500	0.000	1	121.0950	0.121	3	121.0950	0.121	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:4:	3:3:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-4:	C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN)	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	N(C[6]C[6,6a]O[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]O[6])(NCH)	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.5900	0.227	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:4:	3:3:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-4:	C[6]-3:N[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5])	O[6](C[6]C[6,6a]N)(C[6]C[6]CH)	N(C[6]C[6,6a]O[6])(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5]){2|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6a]N)(C[6]C[6]CH){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]O[6])(N[5]C[5]2)	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	120.5900	0.227	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:4:	3:4:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-4:	C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC)	O[6](C[6]C[6,6a]N)(C[6]O[6]CH)	N(C[6]C[6,6a]O[6])(CC[6a]HH)	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6]C[6,6a]N)(C[6]O[6]CH){1|C<3>,1|N<2>}	N(C[6]C[6,6a]O[6])(CC[6a]HH)	122.4140	0.000	1	122.4140	0.000	1	122.4140	0.000	1	121.3510	2.260	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	3:4:	3:4:	C[6,6a]-3:O[6]-2:N-2:	C[6]-3:C[6]-4:	C[6]-3:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	O[6](C[6]C[6,6a]N)(C[6]C[6]HH)	N(C[6]C[6,6a]O[6])(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,2|C<3>,3|H<1>}	O[6](C[6]C[6,6a]N)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]O[6])(SC[6a]OO)	120.2880	0.000	1	120.2880	0.000	1	120.2880	0.000	1	121.3510	2.260	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:2:	4:3:	3:4:	C[6]-3:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:S-4:	C[6](C[6]C[6,6a]N)(O[6]C[6])(NS)	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)	C[6](C[6]C[6,6a]N)(O[6]C[6])(NS){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|N<2>,2|C<3>}	N(C[6]C[6]O[6])(SC[6a]OO)	122.0500	0.011	2	122.0500	0.000	2	122.0500	0.000	2	122.0500	0.000	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	4:2:2:	3:3:	3:2:	C[6]-4:O[6]-2:N-2:	C[6,6]-3:C[6]-3:	C[6]-3:S-2:	C[6](C[6]C[6]ClC)(O[6]C[6,6])(NS)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a])	C[6](C[6]C[6]ClC)(O[6]C[6,6])(NS){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(SC[6a])	122.4145	0.078	2	122.4145	0.006	2	122.4145	0.006	2	122.4145	0.006	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	4:2:2:	4:3:	3:1:	C[5,6]-4:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:H-1:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH)	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N)	N(C[6]C[5,6]O[6])(H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(NH){1|C<3>,2|C<4>,5|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[5,6]N){1|C<2>,1|H<1>,3|C<4>}	N(C[6]C[5,6]O[6])(H)	121.7725	0.156	2	121.7725	0.024	2	121.7725	0.024	2	121.7725	0.024	2	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	4:2:2:	4:3:	3:2:	C[6]-4:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:O-2:	C[6](C[6]N[6]CH)(O[6]C[6])(NO)	O[6](C[6]C[6]CH)(C[6]C[6]N)	N(C[6]C[6]O[6])(OC)	C[6](C[6]N[6]CH)(O[6]C[6])(NO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O[6](C[6]C[6]CH)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[6]C[6]O[6])(OC)	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	4:2:2:	4:3:	3:4:	C[3,6]-4:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:S-4:	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	N(C[6]C[3,6]O[6])(SC[6a]OO)	121.1620	0.348	2	121.1620	0.121	2	121.3253	0.141	3	121.3253	0.141	3	119.8593	7.027	60	119.8593	7.027	60
762	622	941	0:SP2_SP2_SP2	C[6]	O[6]	N	4:2:2:	4:3:	3:4:	C[3,6]-4:O[6]-2:N-2:	C[6]-4:C[6]-3:	C[6]-3:S-4:	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	N(C[6]C[3,6]O[6])(SC[6a]OO)	121.6520	0.000	1	121.6520	0.000	1	121.3253	0.141	3	121.3253	0.141	3	119.8593	7.027	60	119.8593	7.027	60
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:2:1:	4:3:	3:	N[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]N[6,6a])(O[6]C[6])(H)	O[6](C[6]C[6,6a]CH)(C[6]N[6]H)	H(C[6]N[6]O[6])	C[6](N[6]N[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6,6a]CH)(C[6]N[6]H){1|N<2>,1|N<3>}	H(C[6]N[6]O[6])	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	113.9573	3.260	4	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:2:1:	4:3:	3:	O[6]-2:N[6]-2:H-1:	Si[6]-4:C[6]-3:	C[6]-3:	C[6](O[6]Si[6])(N[6]N[6])(H)	O[6](Si[6]C[6]CO)(C[6]N[6]H)	H(C[6]N[6]O[6])	C[6](O[6]Si[6])(N[6]N[6])(H){1|O<2>,4|C<4>}	O[6](Si[6]C[6]CO)(C[6]N[6]H){1|N<4>,2|H<1>}	H(C[6]N[6]O[6])	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	113.9573	3.260	4	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:2:1:	4:3:	3:	O[6]-2:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)	H(C[6]O[6]2)	C[6](O[6]C[6,6])(O[6]C[6])(H){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]O[6]2)	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	113.9573	3.260	4	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:2:1:	4:3:	3:	O[6]-2:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6,6]HH)(C[6]O[6]H)	H(C[6]O[6]2)	C[6](O[6]C[6,6])(O[6]C[6])(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]O[6]2)	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	113.9573	3.260	4	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6])	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[5a,6])(C[6]C[6]H)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]O[6])	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6])	117.6087	0.525	3	117.5225	0.213	4	115.9908	12.799	13	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6])	117.2640	0.000	1	117.5225	0.213	4	115.9908	12.799	13	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6])	114.8924	4.287	5	114.8924	18.379	5	115.9908	12.799	13	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6])	118.0540	0.000	1	118.0540	0.000	1	115.9908	12.799	13	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]O[6]C)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]O[6])	108.9100	0.000	1	108.9100	0.000	1	115.9908	12.799	13	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]O[6]H)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]O[6]H)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6])	118.1825	0.115	2	118.1825	0.013	2	115.9908	12.799	13	115.7874	12.236	15	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	4:3:	3:	O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(H){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H){2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]O[6])	117.0710	0.000	1	117.0710	0.000	1	116.8527	0.037	3	117.0844	0.147	5	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	4:3:	3:	O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	O[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6]O[6])	116.7790	0.000	1	116.7790	0.000	1	116.8527	0.037	3	117.0844	0.147	5	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	4:3:	3:	O[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	O[6](C[5,6]C[5]2C[6])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	O[6](C[5,6]C[5]2C[6])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6])	116.7080	0.000	1	116.7080	0.000	1	116.8527	0.037	3	117.0844	0.147	5	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	4:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6])(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]O[6])	117.1970	0.000	1	117.1970	0.000	1	117.4320	0.110	2	117.0844	0.147	5	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	2:3:1:	4:3:	3:	O[6]-2:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](O[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]H){1|N<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6])	117.6670	0.000	1	117.6670	0.000	1	117.4320	0.110	2	117.0844	0.147	5	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]C[6]C)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H){1|C<4>,4|C<3>}	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|H<1>,2|C<3>}	H(C[6]C[6,6]O[6])	117.8990	0.065	2	117.8990	0.004	2	117.4184	5.979	8	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]C[6]C)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]O[6])	117.1580	3.199	5	117.2582	8.246	6	117.4184	5.979	8	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]C[6]C)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,2|C<3>,3|C<4>}	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]O[6])	117.7590	0.000	1	117.2582	8.246	6	117.4184	5.979	8	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:O[6]-2:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H)	H(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]H){1|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6])	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)	H(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6])	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6,6a])(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]H)(O[6]C[6,6a])(H){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6])	117.4680	0.000	1	117.4680	0.000	1	117.4680	0.000	1	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	O[6](C[6]C[5,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	118.6498	0.250	5	118.6498	0.063	5	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]In)(O[6]C[6])(H)	O[6](C[6]C[6,6a]O)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6a]In)(O[6]C[6])(H){1|O<2>,2|C<3>}	O[6](C[6]C[6,6a]O)(C[6]C[6]H){1|In<4>,2|C<3>}	H(C[6]C[6]O[6])	119.0210	0.000	1	119.0210	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6])	117.4840	0.000	1	117.4840	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Cl)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]Cl)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|S<4>}	H(C[6]C[6]O[6])	118.4850	0.000	1	118.4850	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	117.6521	1.727	17	118.3633	1.312	52	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<1>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	118.4965	0.086	4	118.3633	1.312	52	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	118.7706	0.315	19	118.3633	1.312	52	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Gd<16>,1|O<2>,2|C<4>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|Gd<16>,1|C<4>,1|H<1>,1|O<3>}	H(C[6]C[6]O[6])	118.0277	0.440	4	118.3633	1.312	52	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|S<1>,2|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	118.4155	0.103	2	118.3633	1.312	52	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Se<2>,1|C<3>,1|C<4>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	119.2058	0.217	6	118.3633	1.312	52	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	O[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6])	117.6505	0.422	2	117.6505	0.178	2	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]O)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	118.2750	0.000	1	118.2750	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)	O[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]O[6])	C[6](C[6]C[6a]C[6])(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6])	117.8330	0.000	1	117.8330	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6a]C[6])(O[6]C[6])(H){5|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]H){5|C<3>}	H(C[6]C[6]O[6])	118.7800	0.000	1	118.7800	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]N[6]C)(O[6]C[6])(H){1|H<1>,2|C<3>}	O[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6])	112.0830	0.000	1	112.0830	0.000	1	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	O[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6])	111.8110	0.000	1	115.7453	11.629	3	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	O[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	H(C[6]C[6]O[6])	117.7125	0.200	2	115.7453	11.629	3	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]O[6]H)(O[6]C[6])(H){1|C<3>,1|H<1>}	O[6](C[6]C[6]H)2{1|O<2>,2|H<1>}	H(C[6]C[6]O[6])	112.1148	10.735	4	112.1148	115.235	4	117.8232	8.810	73	117.8187	8.272	84	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:4:	3:	C[4,6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4])(O[6]C[6])(H)	O[6](C[6]C[4,6]H)(C[6]C[6]HH)	H(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]C[4])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[4,6]H)(C[6]C[6]HH){2|C<4>,2|H<1>}	H(C[6]C[4,6]O[6])	113.1330	0.000	1	113.1330	0.000	1	113.1330	0.000	1	115.2530	8.989	2	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	3:4:	3:	C[6,6]-3:O[6]-2:H-1:	C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]C[6]HO)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]O[6])	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	115.2530	8.989	2	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[5,6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H)	H(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,5,6]C[5])(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[5,6]HO)(C[6]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]O[6])	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]O[6])	116.6650	0.091	2	116.6650	0.008	2	116.6650	0.008	2	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H)	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6,6]C[4x6]O[6,6]H)(C[6]C[6,6]H){2|C<3>,3|C<4>}	H(C[6]C[6,6]O[6])	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	O[6](C[6]C[3x6]HH)(C[6]C[6,6]H)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){3|C<4>,5|H<1>}	O[6](C[6]C[3x6]HH)(C[6]C[6,6]H){4|C<4>}	H(C[6]C[6,6]O[6])	117.3680	0.127	4	117.3680	0.016	4	117.5948	0.269	5	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6,6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	O[6](C[6]C[3x6]HO)(C[6]C[6,6]H){2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6])	118.5020	0.000	1	118.5020	0.000	1	117.5948	0.269	5	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H)	H(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6])	122.4390	0.000	1	122.4390	0.000	1	122.4390	0.000	1	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H)	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6,6]H)(O[6]C[5,6])(H){1|H<1>,1|O<2>,3|C<4>}	O[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H){2|C<4>,3|H<1>}	H(C[6]C[6]O[6])	118.1532	0.092	6	118.1532	0.009	6	118.1117	0.019	7	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H)	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]O[6])	117.8630	0.000	1	117.8630	0.000	1	118.1117	0.019	7	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6,6]H)(O[6]C[6,6])(H)	O[6](C[6,6]C[5,3x6]C[6a]C[6])(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6,6]H)(O[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>}	O[6](C[6,6]C[5,3x6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6])	117.2500	0.000	1	117.2500	0.000	1	115.7002	9.199	5	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H)	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]C)(O[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]H){1|O<2>,4|C<4>}	H(C[6]C[6]O[6])	116.8390	0.000	1	116.8390	0.000	1	115.7002	9.199	5	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>}	O[6](C[6,6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6])	117.0655	0.028	2	117.0655	0.001	2	115.7002	9.199	5	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H)	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]H)(O[6]C[6,6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6,6]C[6,6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6])	110.2810	0.000	1	110.2810	0.000	1	115.7002	9.199	5	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[3,6]H)(O[6]C[6])(H)	O[6](C[6]C[3,6,6]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[3,6]H)(O[6]C[6])(H){2|C<4>,3|C<3>}	O[6](C[6]C[3,6,6]C[6a]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6]O[6])	117.9920	0.000	1	117.9920	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[3,6]H)(O[6]C[6])(H)	O[6](C[6]C[3,6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[3,6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	O[6](C[6]C[3,6]CH)(C[6]C[6]H){2|C<4>,2|H<1>}	H(C[6]C[6]O[6])	117.4960	0.000	1	117.4960	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6])	117.3010	0.000	1	117.3607	0.021	3	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	O[6](C[6]C[5,6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[5,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6])	117.3905	0.190	2	117.3607	0.021	3	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(O[6]C[6])(H)	O[6](C[6]C[5,6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[5,6]H)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6])	111.1790	0.000	1	111.1790	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|H<1>,3|C<4>}	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6])	116.8088	0.251	5	116.8088	0.063	5	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|C<4>,3|H<1>}	O[6](C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6])	116.9740	0.000	1	116.9740	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	O[6](C[6]C[6,6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6])	117.3715	0.535	2	117.3715	0.287	2	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]H)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|H<1>}	H(C[6]C[6]O[6])	116.8155	0.156	2	116.8155	0.024	2	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]O)(O[6]C[6])(H)	O[6](C[6]C[6,6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6]O)(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]CH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6])	117.7820	0.000	1	117.7820	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6,6a]C)(O[6]C[6])(H){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,2|C<3>}	H(C[6]C[6]O[6])	117.5160	0.000	1	117.5160	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]2)(O[6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,3|C<4>}	H(C[6]C[6]O[6])	116.9950	0.000	1	116.9950	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6])	108.2480	0.000	1	114.8175	19.209	4	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|N<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	116.8650	0.000	1	114.8175	19.209	4	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6])	117.0785	0.230	2	114.8175	19.209	4	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>}	H(C[6]C[6]O[6])	116.8830	0.045	3	116.9472	0.018	4	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){4|C<4>}	H(C[6]C[6]O[6])	117.1400	0.000	1	116.9472	0.018	4	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>}	H(C[6]C[6]O[6])	116.8330	0.000	1	117.1204	0.202	5	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6])	116.6280	0.000	1	117.1204	0.202	5	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6])	117.3803	0.375	3	117.1204	0.202	5	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(H)	O[6](C[6]O[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O[6](C[6]O[6]CH)(C[6]C[6]H){2|C<4>}	H(C[6]C[6]O[6])	117.4740	0.000	1	117.4740	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]2H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6])	117.3540	0.000	1	117.2627	0.013	3	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]2H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<2>,1|S<3>,3|H<1>}	H(C[6]C[6]O[6])	117.2170	0.116	2	117.2627	0.013	3	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	H(C[6]C[6]O[6])	116.9040	0.000	1	115.5890	6.531	8	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<3>,3|H<1>}	H(C[6]C[6]O[6])	114.6880	2.188	2	115.5890	6.531	8	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6])	117.1705	0.528	2	115.5890	6.531	8	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|S<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6])	116.9255	0.330	2	115.5890	6.531	8	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){2|H<1>,3|C<4>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>}	H(C[6]C[6]O[6])	110.2400	0.000	1	115.5890	6.531	8	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>}	O[6](C[6]C[6a]C[6]C)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]C[6]O[6])	117.3270	0.000	1	117.3270	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]I)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]I)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]O[6])	117.5570	0.000	1	117.5570	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(H)	O[6](C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]O)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]O[6])	117.7760	0.000	1	117.7760	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O[6])(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]O[6])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6])	117.3170	0.000	1	114.5895	14.879	2	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O[6])(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]O[6])(O[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6])	111.8620	0.000	1	114.5895	14.879	2	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(O[6]C[6])(H)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]N[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6])	116.2840	0.000	1	116.2840	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]N[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>}	H(C[6]C[6]O[6])	112.6740	0.000	1	112.6740	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	3:2:1:	4:3:	3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]O[6]H)(O[6]C[6])(H){1|C<4>,1|W<6>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|O<3>,3|H<1>}	H(C[6]C[6]O[6])	113.5490	0.000	1	113.5490	0.000	1	116.3734	4.225	52	116.7031	4.347	74	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	3:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]CC)(O[6]C[6])(H)	O[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]O[6])	C[6](C[6]N[6]CC)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>}	O[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6])	124.5595	0.019	2	124.5595	0.000	2	124.0942	0.627	6	124.0942	0.627	6	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	3:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,2|C<4>}	O[6](C[6]C[6]H)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6])	124.0845	0.203	2	124.0845	0.041	2	124.0942	0.627	6	124.0942	0.627	6	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	3:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]O[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]H)2	H(C[6]C[6]O[6])	C[6](C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>}	O[6](C[6]C[6]H)2{1|O<2>,4|H<1>}	H(C[6]C[6]O[6])	123.6385	1.498	2	123.6385	2.245	2	124.0942	0.627	6	124.0942	0.627	6	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	3:4:	3:	C[6,6]-4:O[6]-2:H-1:	C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]O[6]CC)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[6,6]H)(C[6]O[6]CC){1|C<3>,2|C<4>}	H(C[6]C[6,6]O[6])	125.6670	0.000	1	125.6670	0.000	1	121.6415	32.409	2	121.6415	32.409	2	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	3:4:	3:	C[6,6]-4:O[6]-2:H-1:	C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)	O[6](C[6]C[6,6]H)(C[6]O[6]CH)	H(C[6]C[6,6]O[6])	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[6](C[6]C[6,6]H)(C[6]O[6]CH){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]O[6])	117.6160	0.000	1	117.6160	0.000	1	121.6415	32.409	2	121.6415	32.409	2	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]O[6])	124.3855	0.271	2	124.3855	0.073	2	117.8605	96.929	6	117.8605	96.929	6	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]HO)(O[6]C[6])(H)	O[6](C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<2>}	O[6](C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6])	105.0020	0.000	1	105.0020	0.000	1	117.8605	96.929	6	117.8605	96.929	6	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[6]HH)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|N<3>,4|H<1>}	H(C[6]C[6]O[6])	124.0420	0.211	2	124.0420	0.044	2	117.8605	96.929	6	117.8605	96.929	6	117.3554	11.002	198	117.3554	11.002	198
762	622	951	0:SP2_SP-NON_SP2	C[6]	O[6]	H	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]S[6]CH)(O[6]C[6])(H)	O[6](C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]O[6])	C[6](C[6]S[6]CH)(O[6]C[6])(H){1|Cu<5>,1|C<4>,2|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]H){1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6])	105.3060	0.000	1	105.3060	0.000	1	117.8605	96.929	6	117.8605	96.929	6	117.3554	11.002	198	117.3554	11.002	198
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:2:3:	3:3:	3:3:3:	O[6]-2:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2)	O[6](C[6]C[6]C)(C[6]O[6]N)	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2){1|C<4>,3|C<3>}	O[6](C[6]C[6]C)(C[6]O[6]N){1|B<4>,1|C<3>,1|H<1>}	N(C[6a]C[6a]2)2(C[6]O[6]2)	115.7820	0.000	1	115.7820	0.000	1	115.7820	0.000	1	115.7820	0.000	1	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:2:3:	3:3:	3:4:4:	O[6]-2:N[6]-2:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](O[6]C[5a,6])(N[6]S[6])(NCC)	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)	N(C[6]N[6]O[6])(CCHH)2	C[6](O[6]C[5a,6])(N[6]S[6])(NCC){1|C<3>,1|N<3>,2|O<1>}	O[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	N(C[6]N[6]O[6])(CCHH)2	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:2:3:	4:3:	3:3:3:	O[6]-2:O[6]-2:N-3:	B[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2)	O[6](B[6]C[6a]2C[6])(C[6]O[6]N)	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2){1|C<4>,3|C<3>}	O[6](B[6]C[6a]2C[6])(C[6]O[6]N){1|H<1>,6|C<3>}	N(C[6a]C[6a]2)2(C[6]O[6]2)	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	109.9150	0.458	2	109.9150	0.210	2	109.9150	0.210	2	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<3>,1|N<2>,2|C<4>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]O[6])(H)2	109.7750	0.293	2	109.7309	0.071	8	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<2>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]O[6])(H)2	110.0000	0.000	1	109.7309	0.071	8	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.0180	0.000	1	109.7309	0.071	8	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]O[6])(H)2	109.5223	0.248	3	109.7309	0.071	8	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	109.7120	0.000	1	109.7309	0.071	8	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.4340	0.000	1	109.5272	0.331	5	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N){1|C<4>,1|S<2>,3|C<3>}	N(C[6]C[6]O[6])(H)2	109.3005	0.315	4	109.5272	0.331	5	109.6525	0.163	13	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	110.2056	0.440	19	110.1165	0.202	26	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	109.7983	0.342	3	110.1165	0.202	26	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,3|C<4>}	N(C[6]C[6]O[6])(H)2	109.6080	0.000	1	110.1165	0.202	26	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.3250	0.317	2	110.1165	0.202	26	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<4>,1|O<1>,3|C<3>}	N(C[6]C[6]O[6])(H)2	109.4710	0.000	1	110.1165	0.202	26	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<4>,2|C<3>}	N(C[6]C[6]O[6])(H)2	109.8690	0.000	1	110.0710	0.082	2	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N){1|C<2>,2|C<3>,2|C<4>}	N(C[6]C[6]O[6])(H)2	110.2730	0.000	1	110.0710	0.082	2	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]N)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	111.3980	0.000	1	111.3980	0.000	1	110.1576	0.240	29	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Br<1>,1|C<2>,1|C<4>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.3990	0.000	1	110.4199	0.178	38	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.6449	0.296	11	110.4199	0.178	38	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]O[6])(H)2	110.2230	0.000	1	110.4199	0.178	38	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.4333	0.471	17	110.4199	0.178	38	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]O[6])(H)2	110.1095	0.338	8	110.4199	0.178	38	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	109.5480	0.000	1	109.5613	0.277	22	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	109.9265	0.460	8	109.5613	0.277	22	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	N(C[6]C[6]O[6])(H)2	109.3376	0.468	13	109.5613	0.277	22	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]S)(NHH){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N(C[6]C[6]O[6])(H)2	109.5940	0.000	1	109.5940	0.000	1	110.0967	0.382	61	110.0551	0.331	105	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:3:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	112.2920	0.888	2	112.2920	0.789	2	112.2920	0.789	2	112.2920	0.789	2	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(CC3)(H)	111.7625	0.507	2	111.7625	0.257	2	111.9225	0.156	6	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(CH3)(H)	112.0025	0.387	4	112.0025	0.149	4	111.9225	0.156	6	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CC3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	112.9910	0.000	1	112.9910	0.000	1	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(CC[6a]HH)(H)	112.1540	0.000	1	112.1540	0.000	1	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	112.1200	0.000	1	112.1336	0.102	5	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	111.8450	0.000	1	112.1336	0.102	5	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	112.3980	0.000	1	112.1336	0.102	5	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	112.1525	0.504	2	112.1336	0.102	5	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,1|N<3>,3|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	111.8710	0.138	4	111.8710	0.019	4	112.1179	0.147	11	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	3:3:	3:4:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N){2|C<4>,3|C<3>}	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	111.1290	0.000	1	111.1290	0.000	1	111.1290	0.000	1	111.9978	0.188	18	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	2:3:3:	4:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5,6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N(C[6]C[6]O[6])(H)2	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	109.5400	0.000	1	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){1|C<4>,3|C<3>}	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]N){1|C<2>,1|S<4>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	110.4505	0.121	2	110.4505	0.015	2	110.4505	0.015	2	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<2>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]O[6])(H)2	109.8492	0.267	4	109.9016	8.033	8	109.9016	8.033	8	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N(C[6]C[6]O[6])(H)2	109.6480	7.456	2	109.9016	8.033	8	109.9016	8.033	8	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5a,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5a,6])(NHH){1|N<3>,3|C<3>}	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.2600	0.188	2	109.9016	8.033	8	109.9016	8.033	8	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	110.4232	0.414	4	110.3182	0.184	5	110.2926	0.185	7	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	109.8980	0.000	1	110.3182	0.184	5	110.2926	0.185	7	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){4|C<3>}	O[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N){1|C<2>,1|C<4>,1|S<4>,2|C<3>}	N(C[6]C[6]O[6])(H)2	109.8010	0.000	1	109.8010	0.000	1	110.2926	0.185	7	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6])(NHH){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){2|C<3>,3|C<4>}	N(C[6]C[6]O[6])(H)2	110.6560	0.000	1	110.6560	0.000	1	110.2926	0.185	7	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<2>,2|C<3>,2|C<4>}	N(C[6]C[6]O[6])(H)2	110.9660	0.000	1	110.9660	0.000	1	110.9910	1.494	5	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	110.1945	0.045	2	110.2953	0.031	3	110.9910	1.494	5	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	N(C[6]C[6]O[6])(H)2	110.4970	0.000	1	110.2953	0.031	3	110.9910	1.494	5	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,4|C<3>}	N(C[6]C[6]O[6])(H)2	113.1030	0.000	1	113.1030	0.000	1	110.9910	1.494	5	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]O[6])(H)2	110.2182	0.451	4	110.1878	0.157	5	110.2694	0.194	21	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>}	N(C[6]C[6]O[6])(H)2	110.0660	0.000	1	110.1878	0.157	5	110.2694	0.194	21	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]O[6])(H)2	110.2955	0.244	2	110.2949	0.214	16	110.2694	0.194	21	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]O[6])(H)2	110.2949	0.492	14	110.2949	0.214	16	110.2694	0.194	21	110.2971	1.689	43	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:3:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	O[6](C[6]C[5a,6]N)(C[6]C[6]N)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	O[6](C[6]C[5a,6]N)(C[6]C[6]N){1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	109.5085	0.301	2	109.5085	0.090	2	109.5085	0.090	2	109.5085	0.090	2	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:1:	C[6,6a]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]O[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]N){1|I<1>,4|C<3>}	N(C[6]C[6,6a]O[6])(CH3)(H)	113.8220	0.000	1	113.8220	0.000	1	113.8220	0.000	1	112.6776	2.468	11	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(CH3)(H)	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	112.6776	2.468	11	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	113.0050	0.000	1	113.0050	0.000	1	112.0061	0.431	8	112.6776	2.468	11	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(CC3)(H)	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]N){1|C<4>,4|C<3>}	N(C[6]C[6]O[6])(CC3)(H)	112.7730	0.000	1	112.7730	0.000	1	112.0061	0.431	8	112.6776	2.468	11	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	N(C[6]C[6]O[6])(CH3)(H)	111.7118	0.427	6	111.7118	0.182	6	112.0061	0.431	8	112.6776	2.468	11	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:1:	N[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](N[6]C[6]H)(O[6]C[6])(NCH)	O[6](C[6]C[6a]C[6])(C[6]N[6]N)	N(C[6]N[6]O[6])(CCHH)(H)	C[6](N[6]C[6]H)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	O[6](C[6]C[6a]C[6])(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6]N[6]O[6])(CCHH)(H)	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	112.6776	2.468	11	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS)	O[6](C[6]N[5,6]O)(C[6]C[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]N[5,6]O)(C[6]C[6]N){1|C<3>,2|C<4>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	109.8055	0.657	2	109.8055	0.432	2	109.6653	0.275	3	109.6653	0.275	3	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	3:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	O[6](C[6]N[6,6]O)(C[6]C[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]N[6,6]O)(C[6]C[6]N){1|C<3>,2|C<4>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	109.3850	0.000	1	109.3850	0.000	1	109.6653	0.275	3	109.6653	0.275	3	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	4:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(NHH){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[6a]C[6]H)(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]O[6])(H)2	110.9927	0.601	3	110.9927	0.361	3	110.9927	0.361	3	110.9927	0.361	3	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	4:3:	3:3:1:	N[6]-3:O[6]-2:N-3:	B[6]-4:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H)	O[6](B[6]C[6,6a]FF)(C[6]N[6]N)	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H){2|C<3>,2|F<1>}	O[6](B[6]C[6,6a]FF)(C[6]N[6]N){1|H<1>,2|C<3>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	120.2920	0.000	1	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	4:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	B[6]-4:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6]N[6]H)(O[6]B[6])(NCC)	O[6](B[6]O[6]FF)(C[6]C[6]N)	N(C[6]C[6]O[6])(CH3)2	C[6](C[6]N[6]H)(O[6]B[6])(NCC){1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(C[6]C[6]N){1|H<1>,1|N<2>}	N(C[6]C[6]O[6])(CH3)2	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	115.8220	20.506	2	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP2	C[6]	O[6]	N	3:2:3:	4:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:S-4:C-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS)	O[6](C[6]C[6,6a]HH)(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)(CCHH)	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS){2|C<3>,2|H<1>}	O[6](C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,2|C<3>}	N(C[6]C[6]O[6])(SC[6a]OO)(CCHH)	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	115.8220	20.506	2	110.6637	2.832	194	110.6637	2.832	194
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	109.7523	0.182	3	109.7523	0.033	3	109.7523	0.033	3	109.7472	0.485	8	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N(C[6]C[6]O[6])(H)2	108.9820	0.998	2	109.7442	0.832	5	109.7442	0.832	5	109.7472	0.485	8	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	110.7340	0.000	1	109.7442	0.832	5	109.7442	0.832	5	109.7472	0.485	8	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:3:	3:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]N){1|C<4>,4|C<3>}	N(C[6]C[6]O[6])(H)2	110.0115	0.211	2	109.7442	0.832	5	109.7442	0.832	5	109.7472	0.485	8	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:3:	3:3:	3:4:4:	O[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS){1|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	110.8850	0.000	1	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	2:3:3:	4:3:	3:1:1:	O[6]-2:C[6]-3:N-3:	C[5,6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH)	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](O[6]C[5,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O[6](C[5,6]N[5,5a]C[5,6]C[6a])(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N(C[6]C[6]O[6])(H)2	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[5,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH)	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[5,6])(NHH){4|C<3>}	O[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	109.3390	0.254	5	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]N){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6])(H)2	109.0950	0.030	2	109.0950	0.001	2	109.0950	0.001	2	109.3390	0.254	5	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	O[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>}	N(C[6]C[6]O[6])(H)2	109.6900	0.000	1	109.6900	0.000	1	109.6900	0.000	1	109.3390	0.254	5	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	O[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]O[6])(H)2	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]O[6])(H)2	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	109.3390	0.254	5	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:3:	3:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:S-4:	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	O[6](C[6]N[6,6]O)(C[6]C[6]N)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O[6](C[6]N[6,6]O)(C[6]C[6]N){1|C<3>,2|C<4>}	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	109.8097	0.514	17	109.8097	0.514	17
762	622	956	0:SP2_SP2_SP3	C[6]	O[6]	N	3:2:3:	4:3:	3:4:4:	C[6]-3:O[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-3:S-4:C-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS)	O[6](C[6]C[6]HH)(C[6]C[6]N)	N(C[6]C[6]O[6])(SC[6a]OO)(CH3)	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS){1|C<4>,2|C<3>,4|H<1>}	O[6](C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]O[6])(SC[6a]OO)(CH3)	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	109.8097	0.514	17	109.8097	0.514	17
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	2:2:1:	4:3:	3:	O[6]-2:O[6]-2:S-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(O[6]C[6])(S)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S)	S(C[6]O[6]2)	C[6](O[6]C[5,6])(O[6]C[6])(S){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]S){2|C<4>,2|H<1>,2|O<2>}	S(C[6]O[6]2)	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	119.6182	0.296	5	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	2:2:1:	4:3:	3:	O[6]-2:O[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(O[6]C[6])(S)	O[6](C[6]C[5,6]HH)(C[6]O[6]S)	S(C[6]O[6]2)	C[6](O[6]C[5,6])(O[6]C[6])(S){2|C<4>,3|H<1>}	O[6](C[6]C[5,6]HH)(C[6]O[6]S){1|C<4>,1|H<1>,1|O<2>}	S(C[6]O[6]2)	119.3760	0.000	1	119.3760	0.000	1	119.3760	0.000	1	119.6182	0.296	5	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	2:2:1:	4:3:	3:	O[6]-2:S[6]-2:S-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(S[6]C[6])(S)	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S)	S(C[6]O[6]S[6])	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,5]C[5,6]H)(C[6]S[6]S){2|C<4>,2|H<1>,2|O<2>}	S(C[6]O[6]S[6])	118.8800	0.000	1	118.8800	0.000	1	119.6873	0.555	3	119.6182	0.296	5	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	2:2:1:	4:3:	3:	O[6]-2:S[6]-2:S-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](O[6]C[5,6])(S[6]C[6])(S)	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S)	S(C[6]O[6]S[6])	C[6](O[6]C[5,6])(S[6]C[6])(S){2|C<4>,3|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(C[6]S[6]S){1|O<2>,2|C<4>,3|H<1>}	S(C[6]O[6]S[6])	120.0910	0.365	2	120.0910	0.133	2	119.6873	0.555	3	119.6182	0.296	5	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:S-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	S(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|C<4>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	S(C[6]C[6]O[6])	117.6070	0.000	1	117.5992	0.117	4	117.5992	0.117	4	117.5992	0.117	4	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	2:3:1:	3:3:	3:	O[6]-2:C[6]-3:S-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	S(C[6]C[6]O[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){2|H<1>,3|C<3>}	S(C[6]C[6]O[6])	117.5967	0.419	3	117.5992	0.117	4	117.5992	0.117	4	117.5992	0.117	4	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[5a]C[6])(C[6]C[6,6a]S)	S(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	O[6](C[6]C[5a]C[6])(C[6]C[6,6a]S){1|H<1>,1|O<2>,3|C<3>}	S(C[6]C[6,6a]O[6])	116.2740	0.000	2	116.2740	0.000	2	116.2276	0.011	17	116.2276	0.011	17	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[6,6a]S)(C[6]C[6]2)	S(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]S)(C[6]C[6]2){2|C<3>,2|C<4>,2|H<1>}	S(C[6]C[6,6a]O[6])	116.0310	0.000	2	116.0310	0.000	2	116.2276	0.011	17	116.2276	0.011	17	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	S(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	S(C[6]C[6,6a]O[6])	116.2867	0.041	4	116.2867	0.002	4	116.2276	0.011	17	116.2276	0.011	17	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	3:2:1:	3:3:	3:	C[6,6a]-3:O[6]-2:S-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]S)	S(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	O[6](C[6]C[6a]C[6])(C[6]C[6,6a]S){1|H<1>,4|C<3>}	S(C[6]C[6,6a]O[6])	116.2347	0.095	9	116.2347	0.009	9	116.2276	0.011	17	116.2276	0.011	17	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	3:2:1:	4:3:	3:	N[6]-3:O[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]N[6]H)(O[6]C[6])(S)	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	S(C[6]N[6]O[6])	C[6](N[6]N[6]H)(O[6]C[6])(S){1|C<3>,1|H<1>,2|C<4>}	O[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(C[6]N[6]O[6])	116.9650	0.395	2	116.9650	0.156	2	116.9650	0.156	2	116.9650	0.156	2	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	4:2:1:	3:3:	3:	C[5,6]-4:O[6]-2:S-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S)	S(C[6]C[5,6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	S(C[6]C[5,6]O[6])	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]N[6]CC)(O[6]C[6])(S)	O[6](C[6]C[6]CH)(C[6]C[6]S)	S(C[6]C[6]O[6])	C[6](C[6]N[6]CC)(O[6]C[6])(S){1|C<3>,1|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|N<3>,1|S<1>,2|C<4>}	S(C[6]C[6]O[6])	118.2870	0.465	2	118.2870	0.216	2	119.5600	1.078	6	119.5600	1.078	6	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]O[6]CH)(O[6]C[6])(S)	O[6](C[6]C[6]CH)(C[6]C[6]S)	S(C[6]C[6]O[6])	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	S(C[6]C[6]O[6])	120.0760	0.322	2	120.1965	0.104	4	119.5600	1.078	6	119.5600	1.078	6	117.5203	2.449	35	117.5203	2.449	35
762	622	977	0:SP2_SP-NON_SP2	C[6]	O[6]	S	4:2:1:	4:3:	3:	C[6]-4:O[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]O[6]CH)(O[6]C[6])(S)	O[6](C[6]C[6]CH)(C[6]C[6]S)	S(C[6]C[6]O[6])	C[6](C[6]O[6]CH)(O[6]C[6])(S){1|C<3>,1|C<4>,1|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]S){1|C<4>,1|H<1>,1|O<2>,1|S<1>}	S(C[6]C[6]O[6])	120.3170	0.387	2	120.1965	0.104	4	119.5600	1.078	6	119.5600	1.078	6	117.5203	2.449	35	117.5203	2.449	35
762	622	983	0:SP2_SP1_SP2	C[6]	O[6]	C	3:2:2:	3:3:	3:2:	C[5,6]-3:O[6]-2:C-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C(C[6]C[5,6]O[6])(CC[6a])	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5,6]O[6])(CC[6a])	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1
762	622	992	0:SP2_SP2_SP3	C[6]	O[6]	P	3:2:4:	4:3:	3:2:2:1:	C[6]-3:O[6]-2:P-4:	C[6]-4:C[6]-3:	C[6]-3:O-2:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(PO3)	O[6](C[6]C[6]CH)(C[6]C[6]P)	P(C[6]C[6]O[6])(OC)2(O)	C[6](C[6]C[6]H)(O[6]C[6])(PO3){1|C<3>,2|C<4>,2|H<1>}	O[6](C[6]C[6]CH)(C[6]C[6]P){1|C<3>,1|C<4>,2|H<1>}	P(C[6]C[6]O[6])(OC)2(O)	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1
762	643	643	0:SP2_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|N<3>,2|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	125.4410	0.000	1	125.4410	0.000	1	125.4410	0.000	1	124.5039	0.350	36	124.5039	0.350	36	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	124.9010	0.365	3	124.9010	0.133	3	124.9010	0.133	3	124.5039	0.350	36	124.5039	0.350	36	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	124.5039	0.350	36	124.5039	0.350	36	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6,6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	124.4738	0.553	31	124.4738	0.305	31	124.4738	0.305	31	124.5039	0.350	36	124.5039	0.350	36	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	120.5640	0.000	1	120.5640	0.000	1	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Cl)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	119.4040	0.000	1	119.4040	0.000	1	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	119.0710	1.533	2	119.7793	2.680	3	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	121.1960	0.000	1	119.7793	2.680	3	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	121.8670	0.000	1	121.8402	0.990	6	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	122.0718	1.129	4	121.8402	0.990	6	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	120.8870	0.000	1	121.8402	0.990	6	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	121.3840	0.000	1	121.3840	0.000	1	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	119.6380	0.000	1	119.6380	0.000	1	120.8719	1.812	14	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	120.4550	0.000	1	120.4550	0.000	1	119.4630	1.968	2	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	118.4710	0.000	1	118.4710	0.000	1	119.4630	1.968	2	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	128.7430	0.000	1	128.1660	0.666	2	128.1660	0.666	2	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H){1|Au<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	127.5890	0.000	1	128.1660	0.666	2	128.1660	0.666	2	121.5258	7.580	18	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	120.2170	1.431	2	120.2170	2.048	2	120.0570	1.101	3	120.0570	1.101	3	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	119.7370	0.000	1	119.7370	0.000	1	120.0570	1.101	3	120.0570	1.101	3	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.2870	0.000	1	120.2870	0.000	1	120.2870	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.6505	0.122	2	120.6505	0.015	2	120.6505	0.015	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	124.8350	0.000	1	124.8350	0.000	1	124.8350	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	116.1765	0.617	4	116.1765	0.381	4	116.1765	0.381	4	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	120.1820	0.000	1	121.0775	0.506	4	121.0792	0.312	6	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.3760	0.473	3	121.0775	0.506	4	121.0792	0.312	6	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	121.2300	0.000	1	121.2300	0.000	1	121.0792	0.312	6	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.9350	0.000	1	120.9350	0.000	1	121.0792	0.312	6	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.9380	0.000	1	117.9380	0.000	1	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.7460	0.000	1	116.7460	0.000	1	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.1790	0.000	1	116.1790	0.000	1	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	122.1715	1.474	2	122.1715	2.174	2	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.2880	0.000	1	121.2880	0.000	1	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	116.3380	0.000	1	116.3380	0.000	1	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Rh<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.4020	0.000	1	119.4020	0.000	1	119.0293	6.990	8	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.5940	1.256	2	119.5940	1.577	2	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.5370	0.659	2	120.5370	0.434	2	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O){6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.9135	1.303	4	121.9135	1.697	4	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	118.4627	1.978	4	118.4627	3.911	4	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]F)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	121.2530	0.000	1	121.2530	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]F)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	118.1190	0.000	1	118.1190	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	120.4410	1.080	8	120.4410	1.166	8	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	120.6194	0.808	10	120.5797	0.575	12	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	120.3810	0.591	2	120.5797	0.575	12	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|P<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	120.4265	0.242	4	120.4265	0.058	4	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.5108	0.308	4	120.7820	0.833	10	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	122.0690	1.325	2	120.7820	0.833	10	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|H<1>,5|C<3>}	120.6075	0.771	2	120.7820	0.833	10	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.2120	0.734	2	120.7820	0.833	10	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.5795	0.653	2	120.5795	0.426	2	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	120.1516	0.759	8	120.1516	0.576	8	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.0520	0.000	1	121.0520	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	119.5760	0.000	1	119.5760	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	121.6840	0.000	1	121.6840	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2{2|H<1>,5|C<3>}	120.9370	0.000	1	120.9370	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2212	0.990	4	120.2208	0.657	19	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2092	1.244	4	120.2208	0.657	19	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.2249	0.652	11	120.2208	0.657	19	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2{2|H<1>,5|C<3>}	119.4420	0.000	1	119.4420	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	120.0895	0.436	2	120.0895	0.190	2	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	120.0535	0.443	4	120.0535	0.196	4	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Si<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.0335	0.790	2	116.0335	0.624	2	120.2575	1.490	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O){2|H<1>,7|C<3>}	119.3990	0.000	1	119.3990	0.000	1	112.8084	10.285	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	112.2604	2.486	85	112.2604	6.182	85	112.8084	10.285	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	120.9760	2.378	4	120.9760	5.657	4	112.8084	10.285	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N){2|H<1>,7|C<3>}	120.1280	0.000	1	120.1280	0.000	1	112.8084	10.285	91	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N){2|H<1>,7|C<3>}	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){7|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.3575	0.663	2	118.3575	0.439	2	118.3575	0.439	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	119.6210	0.000	1	119.6210	0.000	1	119.6210	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.7380	0.000	1	117.7380	0.000	1	118.4793	0.463	3	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	119.0750	0.000	1	119.0750	0.000	1	118.4793	0.463	3	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	118.6250	0.000	1	118.6250	0.000	1	118.4793	0.463	3	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.0280	0.000	1	120.0280	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.7940	0.000	1	118.7940	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2){2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	119.5120	0.000	1	119.5120	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H){1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.6210	0.000	1	118.6210	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.3160	0.000	1	120.3160	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	116.1580	0.000	1	116.1580	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|B<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.5320	0.000	1	116.5320	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.7060	0.000	1	118.7060	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.3013	1.164	3	117.6603	0.922	8	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.3750	0.000	1	117.6603	0.922	8	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.9887	0.684	3	117.6603	0.922	8	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.0370	0.000	1	117.6603	0.922	8	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.4340	0.000	1	118.6170	0.067	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.8000	0.000	1	118.6170	0.067	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.2080	0.000	1	117.6710	0.429	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.1340	0.000	1	117.6710	0.429	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.2690	0.000	1	120.2690	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	120.6150	0.000	1	120.3650	0.125	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	120.1150	0.000	1	120.3650	0.125	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	118.0820	0.000	1	118.0820	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	118.8275	1.153	2	118.8275	1.330	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	117.5100	0.000	1	117.5100	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	115.3610	0.000	1	115.3610	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	116.2020	0.000	1	117.3057	1.275	3	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	118.4590	0.000	1	117.3057	1.275	3	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	117.2560	0.000	1	117.3057	1.275	3	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.0860	0.000	1	120.0860	0.000	1	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	120.5400	0.000	1	119.4325	2.453	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	118.3250	0.000	1	119.4325	2.453	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	119.8825	0.199	2	119.8825	0.039	2	118.4101	2.001	36	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.2520	0.144	2	121.2520	0.021	2	121.2520	0.021	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	118.6900	0.000	1	118.6900	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	116.6260	0.000	1	116.6260	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	119.0280	0.000	1	117.8110	0.762	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	116.3250	0.000	1	117.8110	0.762	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.9793	0.419	3	117.8110	0.762	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.1640	0.000	1	117.8110	0.762	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.4137	0.298	4	117.8110	0.762	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.4170	0.146	2	118.0732	1.104	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	119.3590	0.000	1	118.0732	1.104	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.4548	0.800	4	118.0732	1.104	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	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>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.4150	0.000	1	118.0732	1.104	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	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>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	117.6525	0.643	2	118.0732	1.104	10	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]N[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]N[6a]O)2{2|C<4>,5|C<3>}	121.3740	0.000	1	121.3740	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]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|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.3190	0.000	1	118.3190	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.2680	0.000	1	121.2680	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ag<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.2204	0.649	8	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Co<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.7163	0.562	6	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.8067	1.398	10	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Hg<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.2140	0.524	4	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ni<3>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.5680	0.996	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.7065	0.848	4	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Re<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.9917	0.870	4	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.8118	1.432	8	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Hg<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.7935	0.115	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.1580	0.720	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Mo<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.9000	0.239	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Os<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	124.2463	1.426	4	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.2984	1.311	14	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.0515	0.370	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.1580	0.107	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Sn<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.6835	0.835	2	122.4481	1.445	76	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.2280	0.713	2	122.2280	0.508	2	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.7390	0.000	1	122.7390	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.5300	0.000	1	119.2700	3.175	2	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	118.0100	0.000	1	119.2700	3.175	2	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.3580	0.000	1	122.3580	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	122.7040	0.000	1	122.7040	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.9060	0.000	1	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	121.3720	0.057	2	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	122.1415	0.141	2	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	123.1225	0.378	2	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.2860	0.000	1	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.4330	0.000	1	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.9080	0.000	1	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	120.1957	0.115	3	121.4917	0.998	13	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.1960	1.034	3	122.1960	1.070	3	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	122.0120	0.000	1	120.7880	3.623	3	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	118.5950	0.000	1	120.7880	3.623	3	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.7570	0.000	1	120.7880	3.623	3	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|P<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.1640	0.000	1	120.1870	0.001	2	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	120.2100	0.000	1	120.1870	0.001	2	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	117.8470	0.000	1	117.8470	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	117.7290	0.000	1	117.7290	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	118.4860	0.000	1	118.4860	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	116.6740	0.000	1	116.6740	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	122.0060	0.977	2	122.6732	1.624	5	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	123.1180	1.424	3	122.6732	1.624	5	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	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>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	115.3780	0.000	1	115.3780	0.000	1	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	119.4580	0.470	2	120.2315	1.037	4	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|Mo<6>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|P<3>,3|C<3>,3|H<1>}	121.0050	0.706	2	120.2315	1.037	4	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,3|C<3>,3|H<1>}	117.3860	0.692	2	117.3860	0.478	2	121.2129	4.707	145	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	121.5720	0.000	1	121.5720	0.000	1	121.5720	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6])	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	123.6655	0.291	2	123.6655	0.084	2	123.6655	0.084	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Au<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Au<4>,1|C<4>,2|H<1>,3|C<3>}	119.0620	0.000	1	119.0620	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.1840	0.000	1	121.1840	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6,6a]H)(C[6a]C[6a]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6,6a]H)(C[6a]C[6a]Ir){1|H<1>,1|S<4>,4|C<3>}	127.5110	0.000	1	127.5110	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){2|H<1>,4|C<3>}	127.8330	0.358	2	127.8330	0.128	2	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|F<1>,1|H<1>,4|C<3>}	126.9025	0.981	2	127.3885	0.790	24	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.3493	0.817	19	127.3885	0.790	24	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.9610	1.362	3	127.3885	0.790	24	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>}	127.6555	1.479	2	128.2819	0.728	20	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|C<4>,4|C<3>}	128.2880	0.987	2	128.2819	0.728	20	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.4546	0.764	14	128.2819	0.728	20	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.6935	1.084	2	128.2819	0.728	20	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.8330	0.000	1	122.8330	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.4970	0.000	1	121.4970	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.4990	0.000	1	120.4990	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	122.7060	0.000	1	122.7060	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){1|H<1>,5|C<3>}	128.4050	1.701	2	128.4050	2.894	2	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	127.9750	2.325	3	127.9750	5.406	3	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	129.8300	0.000	1	129.8300	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|Zn<4>,2|H<1>,4|C<3>}	123.7950	0.000	1	123.7950	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe){1|Fe<5>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Fe<5>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	121.0130	0.000	1	121.0130	0.000	1	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	127.6690	0.263	3	127.6690	0.069	3	127.0672	5.576	64	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]Pd){2|H<1>,6|C<3>}	127.3065	0.401	2	127.3065	0.161	2	127.3065	0.161	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6a]N[6]){2|H<1>,9|C<3>}	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:P[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]P[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]P[6])(C[6a]C[6a]H)2{1|Mo<6>,2|H<1>,4|C<3>}	121.4755	0.173	2	121.4755	0.030	2	121.4755	0.030	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|Rh<6>,1|H<1>,2|C<4>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	121.1440	0.000	1	121.1440	0.000	1	118.3930	1.931	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	117.9115	0.946	4	117.9345	0.552	6	118.3930	1.931	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	117.9805	0.254	2	117.9345	0.552	6	118.3930	1.931	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a]){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	120.5665	0.672	2	120.5665	0.452	2	120.5665	0.452	2	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5a,6])(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[5a,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	122.1360	0.000	1	122.1360	0.000	1	122.1360	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6,6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	126.8230	0.000	1	126.8230	0.000	1	120.8303	16.960	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	125.6820	0.000	1	125.6820	0.000	1	120.8303	16.960	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	122.4780	0.000	1	122.4780	0.000	1	120.8303	16.960	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2){2|O<2>,3|H<1>,3|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	117.7073	0.440	4	117.7073	0.193	4	120.8303	16.960	7	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	118.5140	0.000	1	118.5140	0.000	1	118.1927	0.611	4	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	118.6135	0.153	2	118.0857	0.848	3	118.1927	0.611	4	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<6>,2|H<1>,4|C<3>}	117.0300	0.000	1	118.0857	0.848	3	118.1927	0.611	4	119.8619	22.193	492	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6,6a]	C[6a]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a]){1|P<4>,2|H<1>,7|C<3>}	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	118.6090	0.000	1	119.9189	21.594	514	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	120.8030	0.464	2	120.8030	0.215	2	120.8030	0.215	2	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	117.6030	0.000	1	117.6030	0.000	1	119.6050	1.151	8	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	120.9680	0.000	1	119.8562	0.686	6	119.6050	1.151	8	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	119.6338	0.697	5	119.8562	0.686	6	119.6050	1.151	8	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.1000	0.000	1	120.1000	0.000	1	119.6050	1.151	8	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	122.9090	0.000	1	122.9090	0.000	1	122.9090	0.000	1	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.9220	0.000	1	121.9220	0.000	1	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N){1|Cu<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cu<2>,3|H<1>,4|C<3>}	122.3040	0.325	2	122.3040	0.106	2	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	122.1010	0.000	1	122.1010	0.000	1	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	122.4670	0.000	1	122.4670	0.000	1	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	121.9090	0.000	1	121.9090	0.000	1	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P){1|Pd<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	120.4780	1.483	3	120.4780	2.200	3	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P){1|Pd<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	120.0957	1.233	3	120.0957	1.519	3	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|Zn<4>,1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Zn<4>,3|H<1>,4|C<3>}	121.4115	0.554	2	121.4115	0.307	2	121.2536	1.462	14	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6]){2|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.9980	0.660	2	122.9980	0.436	2	122.9980	0.436	2	120.9223	2.143	27	120.9307	1.992	29	120.2546	20.531	579
762	643	643	0:SP2_SP2_SP2	C[6]	C[6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|Ti<9>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ti<9>,1|O<2>,3|H<1>,4|C<3>}	121.0435	0.115	2	121.0435	0.013	2	121.0435	0.013	2	121.0435	0.013	2	120.9307	1.992	29	120.2546	20.531	579
762	643	643	6:SP2_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	119.6774	1.904	9	119.6774	1.904	9	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	119.9770	0.096	2	119.9770	0.009	2	119.9770	0.009	2	119.6774	1.904	9	119.6774	1.904	9	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	119.6795	0.962	4	119.6795	0.925	4	119.6795	0.925	4	119.6774	1.904	9	119.6774	1.904	9	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[3x6]	C[6,6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	120.6325	2.027	2	120.6325	4.110	2	120.6325	4.110	2	119.6774	1.904	9	119.6774	1.904	9	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	124.0550	0.000	1	119.5373	15.924	3	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6,6]	C[6,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|N<3>,2|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	117.2785	1.111	2	117.2785	1.234	2	117.2785	1.234	2	117.2785	1.234	2	119.5373	15.924	3	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]N[6a])2(O){2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	116.6875	0.524	2	116.6875	0.275	2	116.6875	0.275	2	116.6875	0.275	2	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	117.6180	0.127	2	117.6180	0.016	2	117.7027	0.030	3	117.7380	0.025	4	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>}	117.8720	0.000	1	117.8720	0.000	1	117.7027	0.030	3	117.7380	0.025	4	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	117.7380	0.025	4	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	121.1000	0.608	2	121.1000	0.370	2	121.1000	0.370	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	117.7420	0.000	1	117.7420	0.000	1	117.2830	0.421	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|N<2>,5|C<3>}	116.8240	0.000	1	116.8240	0.000	1	117.2830	0.421	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	117.8645	0.622	2	117.8645	0.386	2	117.8645	0.386	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){2|O<1>,4|C<3>}	117.9680	0.000	1	117.9680	0.000	1	117.4495	0.538	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){1|C<4>,2|O<1>,3|C<3>}	116.9310	0.000	1	116.9310	0.000	1	117.4495	0.538	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:S[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	118.8430	0.182	2	118.8430	0.033	2	118.8430	0.033	2	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	118.5710	0.000	1	118.5710	0.000	1	118.5710	0.000	1	118.5137	2.148	11	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Br){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	122.1652	0.253	5	122.1652	0.064	5	122.1652	0.064	5	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.6440	0.000	1	122.3193	1.316	3	122.2060	0.929	4	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	121.6570	0.006	2	122.3193	1.316	3	122.2060	0.929	4	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.8660	0.000	1	121.8660	0.000	1	122.2060	0.929	4	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	123.2940	0.095	2	123.2940	0.009	2	123.2940	0.009	2	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){7|C<3>}	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	121.2570	0.000	1	121.2570	0.000	1	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|B<4>,2|H<1>,3|C<3>}	121.8180	0.486	2	121.8180	0.237	2	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|Ge<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	128.5910	0.000	1	128.5910	0.000	1	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	121.5797	0.272	3	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	120.4663	0.396	4	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.3432	0.458	4	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	120.7590	0.000	1	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	120.6400	0.000	1	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Hg<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Hg<4>,2|H<1>,3|C<3>}	120.5920	0.000	1	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ni<6>,2|H<1>,3|C<3>}	122.0350	0.000	1	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.5080	0.000	1	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	120.9074	0.399	7	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	121.6155	1.223	2	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	121.2374	0.899	5	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	120.2465	0.548	2	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	120.5850	0.000	1	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.2554	0.918	30	121.1273	0.634	63	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.2430	0.000	1	120.2430	0.000	1	121.2463	1.433	68	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.0340	0.000	1	122.9200	1.508	3	122.9200	1.508	3	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	124.0870	0.000	1	122.9200	1.508	3	122.9200	1.508	3	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	121.6390	0.000	1	122.9200	1.508	3	122.9200	1.508	3	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	116.8345	0.234	2	116.8345	0.055	2	116.8345	0.055	2	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.6110	0.587	2	118.6110	0.344	2	118.6110	0.344	2	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|H<1>,3|C<3>}	116.6710	0.000	1	116.6710	0.000	1	116.7348	0.145	9	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	117.0408	0.220	4	116.7428	0.165	8	116.7348	0.145	9	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	116.3140	0.423	2	116.7428	0.165	8	116.7348	0.145	9	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	116.5755	0.226	2	116.7428	0.165	8	116.7348	0.145	9	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	118.3900	0.000	1	118.3900	0.000	1	117.8827	0.682	16	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.2800	0.000	1	117.8489	0.711	15	117.8827	0.682	16	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.1085	0.965	8	117.8489	0.711	15	117.8827	0.682	16	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.7642	0.282	6	117.8489	0.711	15	117.8827	0.682	16	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	116.6580	1.799	2	116.6580	3.236	2	116.6580	3.236	2	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(O)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(O){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	117.6540	0.000	1	117.6540	0.000	1	117.6540	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	117.0610	0.000	1	117.0610	0.000	1	117.0610	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.9030	0.000	1	118.9030	0.000	1	117.8248	0.462	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	117.1330	0.000	1	117.5967	0.283	3	117.8248	0.462	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.8285	0.493	2	117.5967	0.283	3	117.8248	0.462	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.2120	0.000	1	117.2120	0.000	1	117.8248	0.462	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.0440	0.000	1	118.0440	0.000	1	117.8248	0.462	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O){7|C<3>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2){8|C<3>}	116.5655	0.071	2	116.5655	0.005	2	116.5655	0.005	2	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	120.4180	0.218	2	120.4180	0.047	2	119.3542	0.785	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	118.6655	0.220	2	118.6655	0.048	2	119.3542	0.785	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.9790	0.580	2	118.9790	0.336	2	119.3542	0.785	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.2790	0.000	1	117.1378	0.842	5	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	117.3420	0.000	1	117.1378	0.842	5	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	116.2560	0.542	2	117.1378	0.842	5	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.5560	0.000	1	117.1378	0.842	5	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|O<2>,4|C<3>}	118.5600	0.000	1	118.5600	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	119.0845	0.760	2	119.0845	0.578	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.5965	1.466	4	117.9602	0.532	25	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.4222	0.658	4	117.9602	0.532	25	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.1676	0.435	14	117.9602	0.532	25	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.1947	0.234	3	117.9602	0.532	25	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.6250	0.000	1	118.6250	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.9545	0.166	2	117.9545	0.028	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.3750	0.441	2	118.3750	0.195	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.7440	0.000	1	118.7440	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	120.6120	0.000	1	120.6120	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	118.4840	0.000	1	118.4840	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.3645	0.071	2	118.4430	0.029	4	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.5215	0.240	2	118.4430	0.029	4	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.6470	0.000	1	117.6470	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.5600	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.3960	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.3580	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.1090	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.4560	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.8200	0.897	2	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	119.0290	1.235	2	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.7520	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	118.9840	0.000	1	118.3921	1.032	11	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.7590	0.000	1	118.0890	0.218	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	118.4190	0.000	1	118.0890	0.218	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	118.5460	0.293	3	118.5460	0.086	3	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	118.7920	0.037	2	118.7918	0.003	4	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	118.7260	0.000	1	118.7918	0.003	4	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	118.8570	0.000	1	118.7918	0.003	4	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	118.5570	0.269	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.4730	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.9780	2.018	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.7310	1.278	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	116.6260	0.922	4	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	117.9395	0.053	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	115.0830	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	118.2905	0.479	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	118.5086	0.656	8	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	117.5035	0.062	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	116.6520	2.824	4	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	116.4620	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	117.8720	0.102	3	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	118.3045	0.098	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.6515	0.180	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.8040	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.2490	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	117.5250	0.581	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.7430	0.767	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.6319	0.371	7	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	117.9020	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.6570	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	118.1216	0.441	8	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<7>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	119.2820	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	118.3000	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.1250	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	118.0870	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.6213	0.391	3	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.0041	0.350	14	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	117.8090	0.629	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.2555	0.535	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.4583	0.607	16	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.0618	0.059	6	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.5880	0.369	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	118.0480	0.000	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.1414	0.702	17	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	118.3720	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.9183	0.576	29	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	114.8660	0.000	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	118.1200	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.9860	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	118.9115	0.411	2	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.0252	0.307	46	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	118.1867	0.295	3	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.2747	0.257	3	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	117.7060	0.000	1	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	116.6012	1.042	13	117.9057	0.758	231	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	119.0580	0.130	4	118.6412	0.165	14	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	118.0100	0.000	1	118.6412	0.165	14	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.3700	0.629	2	118.6412	0.165	14	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	118.5707	0.267	7	118.6412	0.165	14	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	118.5570	0.000	1	118.2933	0.177	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.5660	0.000	1	118.2933	0.177	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.2517	0.116	3	118.2933	0.177	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.0250	0.000	1	118.2933	0.177	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	119.1350	0.000	1	118.2933	0.177	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	118.3010	0.047	2	118.2933	0.177	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	119.2050	0.065	2	118.0067	1.003	12	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	117.6601	1.093	7	118.0067	1.003	12	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	118.0163	0.270	3	118.0067	1.003	12	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	116.9290	0.021	2	116.9290	0.000	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	118.4350	0.000	1	118.7035	0.144	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|I<1>,1|O<1>,5|C<3>}	118.9720	0.000	1	118.7035	0.144	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	119.2980	0.000	1	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.1750	0.000	1	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.9940	0.000	1	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.6660	0.000	1	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.4360	0.000	1	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.8450	0.584	7	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.5547	0.549	3	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.7435	0.097	2	118.5668	0.391	17	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	119.7580	0.000	1	119.2134	2.083	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	118.2050	0.000	1	119.2134	2.083	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	121.0845	0.702	2	119.2134	2.083	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.7510	0.000	1	119.2134	2.083	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	117.2340	0.000	1	119.2134	2.083	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	119.2680	0.946	3	119.2134	2.083	9	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|C<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.4270	0.000	1	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.6890	0.000	1	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.6283	0.313	3	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.1565	0.326	2	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.2930	0.000	1	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.0215	0.124	2	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.4253	0.719	42	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.7745	0.267	2	118.5011	0.459	54	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.1280	0.000	1	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	118.2380	0.000	1	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	119.5500	0.136	2	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.4720	0.000	1	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	119.5460	0.494	3	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	115.3190	0.461	3	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.8880	1.181	22	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	119.3030	0.000	1	118.6286	2.151	34	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.5580	0.000	1	118.9297	0.137	3	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.1155	0.260	2	118.9297	0.137	3	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|Se<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	119.8590	0.000	1	119.8590	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	118.4810	0.000	1	118.4810	0.000	1	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	120.1180	0.000	1	120.3025	0.068	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	120.4870	0.000	1	120.3025	0.068	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	120.0435	0.006	2	120.0435	0.000	2	118.1857	0.924	459	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	117.9575	0.016	2	117.9575	0.000	2	117.9235	0.204	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	117.3500	0.000	1	117.6340	0.063	3	117.9235	0.204	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	117.7760	0.065	2	117.6340	0.063	3	117.9235	0.204	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	118.7240	0.000	1	118.7240	0.000	1	117.9235	0.204	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	116.6085	2.047	2	116.6085	4.191	2	117.6395	1.122	8	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	117.8423	0.526	3	117.8423	0.277	3	117.6395	1.122	8	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	118.1240	0.279	3	118.1240	0.078	3	117.6395	1.122	8	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.0940	0.089	2	118.0940	0.008	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.9400	0.000	1	118.9400	0.000	1	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.2275	0.025	2	118.2647	0.003	4	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	118.3020	0.037	2	118.2647	0.003	4	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.9155	0.223	2	118.9155	0.050	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	116.2750	0.231	2	116.2750	0.053	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.5365	0.965	2	119.2897	0.649	3	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	118.7960	0.000	1	119.2897	0.649	3	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.3290	0.000	1	118.9253	0.231	4	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.7500	0.000	1	118.9253	0.231	4	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	119.3110	0.099	2	118.9253	0.231	4	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.6415	0.513	2	118.6415	0.263	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O){1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.4625	0.043	2	118.4625	0.002	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.6630	0.000	1	118.9997	0.332	3	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.6680	0.066	2	118.9997	0.332	3	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.8360	0.000	1	118.5775	0.134	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.3190	0.000	1	118.5775	0.134	2	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.2590	0.000	1	117.2590	0.000	1	118.4914	0.707	28	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	116.8970	0.000	2	116.8970	0.000	2	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	115.6850	0.000	1	115.6850	0.000	1	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	118.6830	0.000	1	118.0194	0.786	8	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){3|H<1>,4|C<3>}	118.6875	0.985	2	118.0194	0.786	8	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	117.9580	0.000	1	118.0194	0.786	8	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	118.4340	0.000	1	118.0194	0.786	8	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	117.6710	0.198	2	118.0194	0.786	8	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){2|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){2|S<1>,4|C<3>}	116.3630	0.000	1	118.0194	0.786	8	117.6031	1.157	11	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.7715	0.426	2	118.7715	0.182	2	119.3078	1.354	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.6120	0.000	1	118.6095	1.990	2	119.3078	1.354	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.6070	0.000	1	118.6095	1.990	2	119.3078	1.354	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	120.5410	0.000	1	120.5410	0.000	1	119.3078	1.354	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.5440	0.000	1	120.5440	0.000	1	119.3078	1.354	6	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	117.6947	0.597	3	117.6947	0.356	3	117.6947	0.356	3	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	115.7075	0.390	2	115.7075	0.152	2	115.7075	0.152	2	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(S){2|S<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	118.5665	2.296	657	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.4755	0.095	2	119.4755	0.009	2	118.7845	0.641	4	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]){1|S<2>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	118.0935	0.059	2	118.0935	0.003	2	118.7845	0.641	4	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	120.6575	0.322	2	120.6575	0.104	2	120.6575	0.104	2	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	118.6050	0.000	1	118.6050	0.000	1	118.6050	0.000	1	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.0140	0.000	1	117.0140	0.000	1	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	115.8810	0.000	1	116.0285	0.520	4	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	116.0777	0.875	3	116.0285	0.520	4	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1780	0.000	1	117.1780	0.000	1	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.4270	0.000	1	118.4270	0.000	1	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	112.8470	0.000	1	114.6670	6.625	2	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	116.4870	0.000	1	114.6670	6.625	2	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	116.5225	0.402	2	116.5225	0.162	2	116.2829	1.988	11	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	114.9177	0.299	3	114.9177	0.089	3	114.9903	0.081	4	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.2080	0.000	1	115.2080	0.000	1	114.9903	0.081	4	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<5>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.4840	0.000	1	118.8800	0.145	3	118.8800	0.145	3	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<6>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.0780	0.232	2	118.8800	0.145	3	118.8800	0.145	3	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OCu){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	118.5780	0.000	1	118.5780	0.000	1	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OFe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OFe){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	120.5750	0.000	1	120.5750	0.000	1	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	120.3830	0.000	1	120.2977	0.151	3	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	120.2550	0.539	2	120.2977	0.151	3	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	120.9910	0.000	1	120.9910	0.000	1	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.9853	1.062	3	119.9853	1.127	3	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OZn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OZn){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	119.2280	0.000	1	119.2280	0.000	1	120.0221	0.750	10	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:S-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	118.0694	4.575	36	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	112.5260	0.000	1	114.4277	2.757	3	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.3785	0.298	2	114.4277	2.757	3	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	113.2040	0.000	1	113.2040	0.000	1	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.9770	0.000	1	114.9770	0.000	1	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.9640	0.470	2	110.9640	0.220	2	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	114.3265	0.787	2	114.2357	0.334	3	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	114.0540	0.000	1	114.2357	0.334	3	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br){1|S<2>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	113.1470	0.000	1	113.1470	0.000	1	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	115.9885	0.784	10	115.9885	0.614	10	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	112.5385	0.153	2	112.5385	0.024	2	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.3342	0.337	16	121.3342	0.114	16	117.3219	13.400	39	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	114.3360	0.672	2	114.3360	0.451	2	114.3360	0.451	2	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C){1|Pd<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,4|C<3>}	119.4270	0.000	1	119.4270	0.000	1	119.8270	0.162	3	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C){1|Pd<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,4|C<3>}	120.0270	0.288	2	120.0270	0.083	2	119.8270	0.162	3	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	108.4053	0.937	3	108.4053	0.878	3	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	115.9460	0.000	1	115.9460	0.000	1	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|S<2>,2|H<1>,2|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.0300	0.000	1	111.0300	0.000	1	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|Se<2>,2|H<1>,2|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	111.3830	0.000	1	111.3830	0.000	1	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	110.2020	0.378	2	116.2308	22.249	6	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.2452	0.829	4	116.2308	22.249	6	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.3250	0.000	1	111.3250	0.000	1	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2){1|S<2>,2|H<1>,2|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.9560	0.000	1	113.9560	0.000	1	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]P[5]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]P[5]2){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|P<3>,3|C<3>}	111.8860	0.337	2	111.8860	0.113	2	113.1258	17.347	16	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a]){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	112.5470	0.000	1	112.5470	0.000	1	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	110.4690	0.000	1	111.7760	0.534	5	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	112.1028	0.006	4	111.7760	0.534	5	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.7100	0.000	1	109.8045	0.018	2	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	109.8990	0.000	1	109.8045	0.018	2	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	109.5250	0.000	1	109.5250	0.000	1	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	110.7590	0.000	1	111.2805	1.236	4	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.4543	1.293	3	111.2805	1.236	4	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	113.0440	0.000	1	112.7050	0.437	3	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	113.1280	0.000	1	112.7050	0.437	3	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	111.9430	0.000	1	112.7050	0.437	3	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.1475	0.605	2	119.1475	0.366	2	112.3385	7.476	18	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.1980	0.000	1	121.1980	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	109.2612	0.455	43	109.6465	3.463	45	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	117.9310	0.011	2	109.6465	3.463	45	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.2990	0.000	1	118.2990	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,5|C<3>}	118.3300	0.069	2	118.3300	0.005	2	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	118.8450	0.000	1	118.8450	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	123.0630	0.040	2	123.0630	0.002	2	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	120.6100	0.000	1	120.6100	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|P<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	119.0850	0.481	2	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.7596	0.051	5	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.2170	0.000	1	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.9627	0.398	4	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.9580	0.017	2	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.7740	0.000	1	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.5670	0.000	1	118.9558	0.095	16	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	118.6320	0.000	1	119.4418	0.275	5	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	119.6442	0.305	4	119.4418	0.275	5	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	118.6980	0.000	1	118.6980	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.3560	0.000	1	119.3560	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	119.6200	0.000	1	119.6200	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O){6|C<3>}	117.7135	0.471	4	117.7135	0.222	4	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.5375	0.037	2	119.1980	0.168	11	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	119.1895	0.326	2	119.1980	0.168	11	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.0102	0.415	5	119.1980	0.168	11	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.8680	0.000	1	119.1980	0.168	11	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	119.8050	0.000	1	119.1980	0.168	11	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Si<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	127.9330	0.000	1	127.9330	0.000	1	114.6664	26.934	93	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.2685	0.620	2	118.0460	1.266	8	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.3052	1.172	6	118.0460	1.266	8	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7200	0.000	1	117.7200	0.000	1	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.3040	0.000	1	118.4892	0.104	31	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	117.6820	0.000	1	118.4892	0.104	31	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.5234	0.292	29	118.4892	0.104	31	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.9030	0.000	1	118.9030	0.000	1	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]Rh)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]Rh){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.1200	0.000	1	118.1200	0.000	1	118.3875	0.342	42	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(OCo2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OCo2){2|O<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	120.6550	0.000	1	120.6550	0.000	1	121.3057	0.377	3	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	121.8740	0.000	1	121.6310	0.118	2	121.3057	0.377	3	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2){2|O<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	121.3880	0.000	1	121.6310	0.118	2	121.3057	0.377	3	115.7718	20.334	218	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.5530	0.000	1	118.5530	0.000	1	118.6400	0.015	2	118.1072	1.255	4	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.7270	0.000	1	118.7270	0.000	1	118.6400	0.015	2	118.1072	1.255	4	117.8834	7.939	932	117.9058	7.927	944
762	643	643	6:SP2_SP2_SP2	C[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.5745	1.617	2	117.5745	2.615	2	117.5745	2.615	2	118.1072	1.255	4	117.8834	7.939	932	117.9058	7.927	944